[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol

C17H18O2 — CID 177492101

IUPAC[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
SMILESCOc1ccc([C@H]2[C@H](CO)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-19-14-9-7-13(8-10-14)17-15(11-18)16(17)12-5-3-2-4-6-12/h2-10,15-18H,11H2,1H3/t15-,16-,17+/m1/s1
InChIKeyYFDSLIJTJVCBBR-ZACQAIPSSA-N
MW254.33 g/mol
LogP3.18
Rot. Bonds4

About [(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol

[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol (PubChem CID 177492101) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
PubChem CID177492101
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
SMILESCOc1ccc([C@H]2[C@H](CO)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-19-14-9-7-13(8-10-14)17-15(11-18)16(17)12-5-3-2-4-6-12/h2-10,15-18H,11H2,1H3/t15-,16-,17+/m1/s1
InChIKeyYFDSLIJTJVCBBR-ZACQAIPSSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124745204
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene
CID 132838740
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
[(2S,3R,4R)-4-[(4-methoxyanilino)methyl]-3-[4-(2-phenylethynyl)phenyl]azetidin-2-yl]methanol
CID 144843136
(4-methoxyphenyl)methyl-phenyliodanium
CID 22385450
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
(1R,2R,3S,4R,5R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-4,5,6-tris(phenylmethoxy)cyclohexan-1-ol
CID 11734590
[1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol
CID 175425747

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol?
The IUPAC name of [(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol (CID 177492101) is [(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol.
What is the SMILES notation for [(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol?
The canonical SMILES for [(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol is COc1ccc([C@H]2[C@H](CO)[C@H]2c2ccccc2)cc1.
What is the InChIKey of [(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol?
The InChIKey is YFDSLIJTJVCBBR-ZACQAIPSSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-14-9-7-13(8-10-14)17-15(11-18)16(17)12-5-3-2-4-6-12/h2-10,15-18H,11H2,1H3/t15-,16-,17+/m1/s1.
What are the key properties of [(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol?
[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol has a molecular weight of 254.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol is sourced from PubChem (CID 177492101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).