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

C16H26O3 — CID 71713905

IUPAC5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol
SMILESCO[C@@](C)(CCCC(C)C)c1ccc(CO)cc1O
InChIInChI=1S/C16H26O3/c1-12(2)6-5-9-16(3,19-4)14-8-7-13(11-17)10-15(14)18/h7-8,10,12,17-18H,5-6,9,11H2,1-4H3/t16-/m0/s1
InChIKeyPWOXLPFACURSPD-INIZCTEOSA-N
MW266.38 g/mol
LogP3.57
Rot. Bonds7

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

5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol (PubChem CID 71713905) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol
PubChem CID71713905
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol
SMILESCO[C@@](C)(CCCC(C)C)c1ccc(CO)cc1O
InChIInChI=1S/C16H26O3/c1-12(2)6-5-9-16(3,19-4)14-8-7-13(11-17)10-15(14)18/h7-8,10,12,17-18H,5-6,9,11H2,1-4H3/t16-/m0/s1
InChIKeyPWOXLPFACURSPD-INIZCTEOSA-N
XLogP3.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Thymol
CID 6989
Cannabidiol
CID 644019
Carvacrol
CID 10364
CP 47497
CID 125835
Cannabidivarin
CID 11601669
Enterodiol
CID 115089
Amylmetacresol
CID 14759
Cannabicyclohexanol
CID 23986041
Thymohydroquinone
CID 95779
Xanthorrhizol
CID 93135
(cis)-3-(2-Hydroxy-4-(1,1-dimethyloctyl)phenyl)cyclohexanol
CID 12788231
2,5-Diisopropylphenol
CID 93189

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol?
The IUPAC name of 5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol (CID 71713905) is 5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol.
What is the SMILES notation for 5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol?
The canonical SMILES for 5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol is CO[C@@](C)(CCCC(C)C)c1ccc(CO)cc1O.
What is the InChIKey of 5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol?
The InChIKey is PWOXLPFACURSPD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26O3/c1-12(2)6-5-9-16(3,19-4)14-8-7-13(11-17)10-15(14)18/h7-8,10,12,17-18H,5-6,9,11H2,1-4H3/t16-/m0/s1.
What are the key properties of 5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol?
5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol has a molecular weight of 266.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-[(2S)-2-methoxy-6-methylheptan-2-yl]phenol is sourced from PubChem (CID 71713905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).