(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol

C16H26O — CID 15830826

IUPAC(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol
SMILESC[C@@H](C[C@H](C)CO)C[C@H](C)Cc1ccccc1
InChIInChI=1S/C16H26O/c1-13(10-15(3)12-17)9-14(2)11-16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3/t13-,14+,15+/m1/s1
InChIKeyOSOTVQBNVRTOFT-ILXRZTDVSA-N
MW234.38 g/mol
LogP3.91
Rot. Bonds7

About (2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol

(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol (PubChem CID 15830826) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol.

Molecular Properties

Compound Name(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol
PubChem CID15830826
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol
SMILESC[C@@H](C[C@H](C)CO)C[C@H](C)Cc1ccccc1
InChIInChI=1S/C16H26O/c1-13(10-15(3)12-17)9-14(2)11-16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3/t13-,14+,15+/m1/s1
InChIKeyOSOTVQBNVRTOFT-ILXRZTDVSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene
CID 11001118
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
(2S)-2-methyl-3-phenylpropanal;(2S)-2-methyl-3-phenylpropan-1-ol
CID 91547293
1-benzyl-4-(2,4-dimethylpentyl)benzene
CID 147045778
4-methyl-2,5-diphenylpentanoic acid
CID 82160563
2-methyl-3-phenylpropan-1-amine
CID 12672558
2-methyl-3-phenylpropane-1-thiol
CID 19981761
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
2,4-dimethylpentane-1,5-diol
CID 10964552
amino 2-benzyl-4-methyl-5-phenylpentanoate
CID 175118949
diethyl 2-(2-methyl-3-phenylpropyl)propanedioate
CID 174407288

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol?
The IUPAC name of (2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol (CID 15830826) is (2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol.
What is the SMILES notation for (2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol?
The canonical SMILES for (2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol is C[C@@H](C[C@H](C)CO)C[C@H](C)Cc1ccccc1.
What is the InChIKey of (2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol?
The InChIKey is OSOTVQBNVRTOFT-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H26O/c1-13(10-15(3)12-17)9-14(2)11-16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3/t13-,14+,15+/m1/s1.
What are the key properties of (2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol?
(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol is sourced from PubChem (CID 15830826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).