6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid

C17H22O3 — CID 82093660

IUPAC6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid
SMILESCC(C)c1ccc2c(c1)C(C(=O)O)CC1(CCCC1)O2
InChIInChI=1S/C17H22O3/c1-11(2)12-5-6-15-13(9-12)14(16(18)19)10-17(20-15)7-3-4-8-17/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeySJCQOBJCUXXWKA-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.07
Rot. Bonds2

About 6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid

6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid (PubChem CID 82093660) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid
PubChem CID82093660
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid
SMILESCC(C)c1ccc2c(c1)C(C(=O)O)CC1(CCCC1)O2
InChIInChI=1S/C17H22O3/c1-11(2)12-5-6-15-13(9-12)14(16(18)19)10-17(20-15)7-3-4-8-17/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeySJCQOBJCUXXWKA-UHFFFAOYSA-N
XLogP4.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide
CID 58940888
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
4-methyl-7-propan-2-ylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
CID 82194488
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 120502115
(1R,9S)-9-hydroxy-4a,10a-dimethyl-7-propan-2-yl-1,2,3,4,9,10-hexahydrophenanthrene-1-carboxylic acid
CID 132553898
(11S)-2-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxylic acid
CID 129362319
2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid
CID 82083096
N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 74930192
2,4-dimethoxy-2-methyl-6-propan-2-yl-3,4-dihydrochromene
CID 10729365
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid?
The IUPAC name of 6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid (CID 82093660) is 6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid.
What is the SMILES notation for 6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid?
The canonical SMILES for 6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid is CC(C)c1ccc2c(c1)C(C(=O)O)CC1(CCCC1)O2.
What is the InChIKey of 6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid?
The InChIKey is SJCQOBJCUXXWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-11(2)12-5-6-15-13(9-12)14(16(18)19)10-17(20-15)7-3-4-8-17/h5-6,9,11,14H,3-4,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid?
6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carboxylic acid is sourced from PubChem (CID 82093660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).