(R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol

C14H16O — CID 97049928

IUPAC(R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol
SMILESC[C@@]1([C@@H](O)c2ccccc2)C=CC=CC1
InChIInChI=1S/C14H16O/c1-14(10-6-3-7-11-14)13(15)12-8-4-2-5-9-12/h2-10,13,15H,11H2,1H3/t13-,14+/m0/s1
InChIKeyXRIOVKLIPNKEMZ-UONOGXRCSA-N
MW200.28 g/mol
LogP3.24
Rot. Bonds2

About (R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol

(R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol (PubChem CID 97049928) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol
PubChem CID97049928
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol
SMILESC[C@@]1([C@@H](O)c2ccccc2)C=CC=CC1
InChIInChI=1S/C14H16O/c1-14(10-6-3-7-11-14)13(15)12-8-4-2-5-9-12/h2-10,13,15H,11H2,1H3/t13-,14+/m0/s1
InChIKeyXRIOVKLIPNKEMZ-UONOGXRCSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-methylcyclohexa-2,4-dien-1-yl)-phenylmethanol
CID 71773988
1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene
CID 151613800
1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine
CID 67642916
1-benzhydrylcyclohexa-2,4-diene-1-carboxylic acid
CID 175775903
[2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1-phenylethyl]benzene
CID 175202770
N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline
CID 70954044
5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
CID 175128214
(1S)-1-phenylethanol
CID 157125626
(1-ethylcyclohexa-2,4-dien-1-yl) 2-phenylpropanedithioate
CID 174908253
[1-(dimethylamino)cyclohexa-2,4-dien-1-yl]-phenylmethanone
CID 154121053
(S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol
CID 6933101
[(1R)-1-methylinden-1-yl]-phenylmethanol
CID 10944441

Frequently Asked Questions

What is the IUPAC name of (R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol?
The IUPAC name of (R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol (CID 97049928) is (R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol?
The canonical SMILES for (R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol is C[C@@]1([C@@H](O)c2ccccc2)C=CC=CC1.
What is the InChIKey of (R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol?
The InChIKey is XRIOVKLIPNKEMZ-UONOGXRCSA-N. The full InChI is InChI=1S/C14H16O/c1-14(10-6-3-7-11-14)13(15)12-8-4-2-5-9-12/h2-10,13,15H,11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol?
(R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol has a molecular weight of 200.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol is sourced from PubChem (CID 97049928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).