(1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid

C19H18O5 — CID 24855033

IUPAC(1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
SMILESCOc1ccc(COc2ccc3c(c2)O[C@H]2[C@H](C(=O)O)[C@@H]32)c(C)c1
InChIInChI=1S/C19H18O5/c1-10-7-12(22-2)4-3-11(10)9-23-13-5-6-14-15(8-13)24-18-16(14)17(18)19(20)21/h3-8,16-18H,9H2,1-2H3,(H,20,21)/t16-,17-,18-/m1/s1
InChIKeyLAKIKTWAENAUQQ-KZNAEPCWSA-N
MW326.35 g/mol
LogP3.14
Rot. Bonds5

About (1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid

(1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid (PubChem CID 24855033) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid.

Molecular Properties

Compound Name(1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
PubChem CID24855033
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
SMILESCOc1ccc(COc2ccc3c(c2)O[C@H]2[C@H](C(=O)O)[C@@H]32)c(C)c1
InChIInChI=1S/C19H18O5/c1-10-7-12(22-2)4-3-11(10)9-23-13-5-6-14-15(8-13)24-18-16(14)17(18)19(20)21/h3-8,16-18H,9H2,1-2H3,(H,20,21)/t16-,17-,18-/m1/s1
InChIKeyLAKIKTWAENAUQQ-KZNAEPCWSA-N
XLogP3.14
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid with MolForge

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Related Compounds

4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
CID 24854980
4-[(3-cyanophenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
CID 69205117
4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
CID 72549655
4-[2-methyl-4-(trifluoromethyl)phenoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
CID 24854739
4-[4-tert-butyl-2-(difluoromethoxy)phenoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
CID 24854805
4-[[3-(2-chloro-4-methoxy-6-methylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 59450530
diethyl (3R,3aS,8bS)-6-methoxy-2,3,3a,8b-tetrahydro-[1]benzofuro[3,2-b]pyrrole-1,3-dicarboxylate
CID 134786758
O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117276532
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide
CID 102702450
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid
CID 114345678
4-[(3-methoxyphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482204

Frequently Asked Questions

What is the IUPAC name of (1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid?
The IUPAC name of (1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid (CID 24855033) is (1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid.
What is the SMILES notation for (1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid?
The canonical SMILES for (1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid is COc1ccc(COc2ccc3c(c2)O[C@H]2[C@H](C(=O)O)[C@@H]32)c(C)c1.
What is the InChIKey of (1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid?
The InChIKey is LAKIKTWAENAUQQ-KZNAEPCWSA-N. The full InChI is InChI=1S/C19H18O5/c1-10-7-12(22-2)4-3-11(10)9-23-13-5-6-14-15(8-13)24-18-16(14)17(18)19(20)21/h3-8,16-18H,9H2,1-2H3,(H,20,21)/t16-,17-,18-/m1/s1.
What are the key properties of (1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid?
(1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,1aR,6bS)-4-[(4-methoxy-2-methylphenyl)methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid is sourced from PubChem (CID 24855033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).