[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol

C17H18O2 — CID 162276045

IUPAC[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol
SMILESC[C@]1(C(O)O)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-16(15(18)19)12-17(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15,18-19H,12H2,1H3/t16-/m1/s1
InChIKeyTXELGHQYWFRHDY-MRXNPFEDSA-N
MW254.33 g/mol
LogP2.69
Rot. Bonds3

About [(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol

[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol (PubChem CID 162276045) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol.

Molecular Properties

Compound Name[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol
PubChem CID162276045
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol
SMILESC[C@]1(C(O)O)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-16(15(18)19)12-17(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15,18-19H,12H2,1H3/t16-/m1/s1
InChIKeyTXELGHQYWFRHDY-MRXNPFEDSA-N
XLogP2.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium)
CID 162276044
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
(1R)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 86339419
(R)-[(1S)-2,2-diphenyl-1-trimethylsilylcyclopropyl]-phenylmethanol
CID 99771519
2,2-diphenylcyclopropane-1,1-dicarboxylic acid
CID 18401961
(S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol
CID 6933101
4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol
CID 20692221
1-methyl-3,5,7-triphenyladamantane
CID 20728636
[1,2-dimethyl-2-(1-phenylethyl)cyclopropyl]methanol
CID 78427689
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol?
The IUPAC name of [(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol (CID 162276045) is [(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol.
What is the SMILES notation for [(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol?
The canonical SMILES for [(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol is C[C@]1(C(O)O)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol?
The InChIKey is TXELGHQYWFRHDY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18O2/c1-16(15(18)19)12-17(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15,18-19H,12H2,1H3/t16-/m1/s1.
What are the key properties of [(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol?
[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol has a molecular weight of 254.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol is sourced from PubChem (CID 162276045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).