(1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol

C18H20O2 — CID 134954969

IUPAC(1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol
SMILESC[C@H]1Oc2ccccc2[C@H]1[C@H](O)CCc1ccccc1
InChIInChI=1S/C18H20O2/c1-13-18(15-9-5-6-10-17(15)20-13)16(19)12-11-14-7-3-2-4-8-14/h2-10,13,16,18-19H,11-12H2,1H3/t13-,16-,18+/m1/s1
InChIKeyLJCGJDQVOHHWKC-QBIMZIAESA-N
MW268.36 g/mol
LogP3.54
Rot. Bonds4

About (1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol

(1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol (PubChem CID 134954969) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol
PubChem CID134954969
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol
SMILESC[C@H]1Oc2ccccc2[C@H]1[C@H](O)CCc1ccccc1
InChIInChI=1S/C18H20O2/c1-13-18(15-9-5-6-10-17(15)20-13)16(19)12-11-14-7-3-2-4-8-14/h2-10,13,16,18-19H,11-12H2,1H3/t13-,16-,18+/m1/s1
InChIKeyLJCGJDQVOHHWKC-QBIMZIAESA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Medicarpin
CID 336327
Xanthydrol
CID 72861
2,2-Bis(4-(2,3-dihydroxypropoxy)phenyl)propane
CID 110678
2-(((1,1'-Biphenyl)-2-yloxy)methyl)oxirane
CID 97875
2,3-Dihydro-2-methylbenzofuran
CID 101130
(+)-Medicarpin
CID 73067
LG190178
CID 15521397
(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol
CID 24936209
Conocarpan
CID 10999992
Benzenemethanol, 2-(phenylmethoxy)-
CID 18811
2-((1,1'-Biphenyl)-2-yloxy)ethanol
CID 24127
Nonylphenol monoethoxylate
CID 171092

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol?
The IUPAC name of (1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol (CID 134954969) is (1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for (1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol?
The canonical SMILES for (1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol is C[C@H]1Oc2ccccc2[C@H]1[C@H](O)CCc1ccccc1.
What is the InChIKey of (1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol?
The InChIKey is LJCGJDQVOHHWKC-QBIMZIAESA-N. The full InChI is InChI=1S/C18H20O2/c1-13-18(15-9-5-6-10-17(15)20-13)16(19)12-11-14-7-3-2-4-8-14/h2-10,13,16,18-19H,11-12H2,1H3/t13-,16-,18+/m1/s1.
What are the key properties of (1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol?
(1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,3S)-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 134954969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).