[(1R)-1-methylinden-1-yl]-phenylmethanol

C17H16O — CID 10944441

IUPAC[(1R)-1-methylinden-1-yl]-phenylmethanol
SMILESC[C@@]1(C(O)c2ccccc2)C=Cc2ccccc21
InChIInChI=1S/C17H16O/c1-17(16(18)14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)17/h2-12,16,18H,1H3/t16?,17-/m1/s1
InChIKeyITSAFRDBVQKVLV-ZYMOGRSISA-N
MW236.31 g/mol
LogP3.70
Rot. Bonds2

About [(1R)-1-methylinden-1-yl]-phenylmethanol

[(1R)-1-methylinden-1-yl]-phenylmethanol (PubChem CID 10944441) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is [(1R)-1-methylinden-1-yl]-phenylmethanol.

Molecular Properties

Compound Name[(1R)-1-methylinden-1-yl]-phenylmethanol
PubChem CID10944441
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name[(1R)-1-methylinden-1-yl]-phenylmethanol
SMILESC[C@@]1(C(O)c2ccccc2)C=Cc2ccccc21
InChIInChI=1S/C17H16O/c1-17(16(18)14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)17/h2-12,16,18H,1H3/t16?,17-/m1/s1
InChIKeyITSAFRDBVQKVLV-ZYMOGRSISA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

lithium 1-(1-phenylethyl)indene-1-carboxylate
CID 175033026
1,2-diphenylethane-1,2-diol
CID 159073808
1-methoxyinden-1-ol
CID 22755553
(1-methylcyclohexa-2,4-dien-1-yl)-phenylmethanol
CID 71773988
(R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol
CID 97049928
2-(1-methoxyinden-1-yl)acetic acid
CID 13445754
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one
CID 101389866
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one
CID 11300907
(1R)-2,2-difluoro-1-phenylethanol
CID 12955760
[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
CID 18626557
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 101389868

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-methylinden-1-yl]-phenylmethanol?
The IUPAC name of [(1R)-1-methylinden-1-yl]-phenylmethanol (CID 10944441) is [(1R)-1-methylinden-1-yl]-phenylmethanol.
What is the SMILES notation for [(1R)-1-methylinden-1-yl]-phenylmethanol?
The canonical SMILES for [(1R)-1-methylinden-1-yl]-phenylmethanol is C[C@@]1(C(O)c2ccccc2)C=Cc2ccccc21.
What is the InChIKey of [(1R)-1-methylinden-1-yl]-phenylmethanol?
The InChIKey is ITSAFRDBVQKVLV-ZYMOGRSISA-N. The full InChI is InChI=1S/C17H16O/c1-17(16(18)14-8-3-2-4-9-14)12-11-13-7-5-6-10-15(13)17/h2-12,16,18H,1H3/t16?,17-/m1/s1.
What are the key properties of [(1R)-1-methylinden-1-yl]-phenylmethanol?
[(1R)-1-methylinden-1-yl]-phenylmethanol has a molecular weight of 236.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-methylinden-1-yl]-phenylmethanol is sourced from PubChem (CID 10944441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).