5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol

C15H24O3 — CID 25112062

IUPAC5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol
SMILESCC(C)CCC[C@](C)(O)c1ccc(CO)cc1O
InChIInChI=1S/C15H24O3/c1-11(2)5-4-8-15(3,18)13-7-6-12(10-16)9-14(13)17/h6-7,9,11,16-18H,4-5,8,10H2,1-3H3/t15-/m0/s1
InChIKeyYOBQORBMRZQKGS-HNNXBMFYSA-N
MW252.35 g/mol
LogP2.92
Rot. Bonds6

About 5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol

5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol (PubChem CID 25112062) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol
PubChem CID25112062
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol
SMILESCC(C)CCC[C@](C)(O)c1ccc(CO)cc1O
InChIInChI=1S/C15H24O3/c1-11(2)5-4-8-15(3,18)13-7-6-12(10-16)9-14(13)17/h6-7,9,11,16-18H,4-5,8,10H2,1-3H3/t15-/m0/s1
InChIKeyYOBQORBMRZQKGS-HNNXBMFYSA-N
XLogP2.92
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Thymol
CID 6989
Cannabidiol
CID 644019
Tert-Butylhydroquinone
CID 16043
Salicyl Alcohol
CID 5146
2,5-Dimethylphenol
CID 7267
Carvacrol
CID 10364
2,3-Dimethylphenol
CID 10687
2,5-Di-tert-butylhydroquinone
CID 2374
2-Isopropylphenol
CID 6943
Tapinarof
CID 6439522
CP 47497
CID 125835
Cannabidivarin
CID 11601669

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol?
The IUPAC name of 5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol (CID 25112062) is 5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol.
What is the SMILES notation for 5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol?
The canonical SMILES for 5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol is CC(C)CCC[C@](C)(O)c1ccc(CO)cc1O.
What is the InChIKey of 5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol?
The InChIKey is YOBQORBMRZQKGS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)5-4-8-15(3,18)13-7-6-12(10-16)9-14(13)17/h6-7,9,11,16-18H,4-5,8,10H2,1-3H3/t15-/m0/s1.
What are the key properties of 5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol?
5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol has a molecular weight of 252.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenol is sourced from PubChem (CID 25112062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).