(1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol

C18H20O — CID 134942800

IUPAC(1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol
SMILESCc1ccc([C@H]2C(c3ccccc3)[C@@H]2[C@H](C)O)cc1
InChIInChI=1S/C18H20O/c1-12-8-10-15(11-9-12)18-16(13(2)19)17(18)14-6-4-3-5-7-14/h3-11,13,16-19H,1-2H3/t13-,16-,17?,18+/m0/s1
InChIKeyFVBFIKSEAYRPJF-JCTARUDMSA-N
MW252.36 g/mol
LogP3.87
Rot. Bonds3

About (1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol

(1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol (PubChem CID 134942800) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is (1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol
PubChem CID134942800
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name(1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol
SMILESCc1ccc([C@H]2C(c3ccccc3)[C@@H]2[C@H](C)O)cc1
InChIInChI=1S/C18H20O/c1-12-8-10-15(11-9-12)18-16(13(2)19)17(18)14-6-4-3-5-7-14/h3-11,13,16-19H,1-2H3/t13-,16-,17?,18+/m0/s1
InChIKeyFVBFIKSEAYRPJF-JCTARUDMSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-3-phenyloxirane
CID 602487
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
CID 102521707
CID 11796371
CID 11796371
propan-2-ol;toluene;1,2-xylene
CID 175542650
(1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol
CID 28912369
[(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone
CID 139093014
benzene;bis(1,4-xylene)
CID 159472747
1-(dimethylamino)ethanol;toluene
CID 118211562
(3R,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 102576048
2-(4-methylphenyl)-5-phenylthiolane
CID 58161404
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861
3-methylbut-3-en-2-ol;toluene
CID 91227774

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol?
The IUPAC name of (1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol (CID 134942800) is (1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol.
What is the SMILES notation for (1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol?
The canonical SMILES for (1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol is Cc1ccc([C@H]2C(c3ccccc3)[C@@H]2[C@H](C)O)cc1.
What is the InChIKey of (1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol?
The InChIKey is FVBFIKSEAYRPJF-JCTARUDMSA-N. The full InChI is InChI=1S/C18H20O/c1-12-8-10-15(11-9-12)18-16(13(2)19)17(18)14-6-4-3-5-7-14/h3-11,13,16-19H,1-2H3/t13-,16-,17?,18+/m0/s1.
What are the key properties of (1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol?
(1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol is sourced from PubChem (CID 134942800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).