[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol

C11H16O2 — CID 122692713

IUPAC[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol
SMILESCC(C)c1cc(CO)cc(CO)c1
InChIInChI=1S/C11H16O2/c1-8(2)11-4-9(6-12)3-10(5-11)7-13/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyYNUMALCOAIGLTC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.79
Rot. Bonds3

About [3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol

[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol (PubChem CID 122692713) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is [3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol
PubChem CID122692713
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol
SMILESCC(C)c1cc(CO)cc(CO)c1
InChIInChI=1S/C11H16O2/c1-8(2)11-4-9(6-12)3-10(5-11)7-13/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyYNUMALCOAIGLTC-UHFFFAOYSA-N
XLogP1.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
[3-[1-[3,5-bis(hydroxymethyl)phenyl]ethyl]-5-(hydroxymethyl)phenyl]methanol;ethane
CID 142281106
(3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol
CID 176584231
1,3-dibutyl-5-propan-2-ylbenzene
CID 19812391
1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol
CID 117303457
CID 175757661
CID 175757661
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405
1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene
CID 68591438
2-(3-methoxy-5-propan-2-ylphenyl)ethanol
CID 71373713
1-methyl-3-[[3-[(methylcarbamothioylamino)methyl]-5-propan-2-ylphenyl]methyl]thiourea
CID 101382533
(3,5-dipropylphenyl)methanol
CID 23592581
1-chloro-3-methyl-5-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;(2-methoxy-3-methyl-5-propan-2-ylphenyl)methanol;(3-methyl-5-propan-2-ylphenyl)methanol
CID 158244850

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol (CID 122692713) is [3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol is CC(C)c1cc(CO)cc(CO)c1.
What is the InChIKey of [3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol?
The InChIKey is YNUMALCOAIGLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)11-4-9(6-12)3-10(5-11)7-13/h3-5,8,12-13H,6-7H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol?
[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol has a molecular weight of 180.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol is sourced from PubChem (CID 122692713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).