[4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol

C9H12O2 — CID 144663501

IUPAC[4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol
SMILESOCC1=CC=CC(CO)C=C1
InChIInChI=1S/C9H12O2/c10-6-8-2-1-3-9(7-11)5-4-8/h1-5,8,10-11H,6-7H2
InChIKeyQOGNXYHAGUIJLD-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.64
Rot. Bonds2

About [4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol

[4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol (PubChem CID 144663501) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is [4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol
PubChem CID144663501
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name[4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol
SMILESOCC1=CC=CC(CO)C=C1
InChIInChI=1S/C9H12O2/c10-6-8-2-1-3-9(7-11)5-4-8/h1-5,8,10-11H,6-7H2
InChIKeyQOGNXYHAGUIJLD-UHFFFAOYSA-N
XLogP0.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopenta-2,4-dien-1-ylmethanol;dichlorotitanium;methanone
CID 175233340
cyclohepta-1,3,4,6-tetraen-1-ylmethanol
CID 123806054
(2-methyl-1,2-dihydropyridin-5-yl)methanol
CID 143687161
3-methyl-7-pentylcyclohepta-1,3,5-triene
CID 142802346
[(3S)-3,4-dichloro-3-iodocyclohexa-1,5-dien-1-yl]methanol
CID 173484706
(4-propan-2-ylcyclohexa-1,5-dien-1-yl)methanol
CID 519721
6-hydroxy-3-(hydroxymethyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 89318782
(5-ethynylcyclohepta-1,3,6-trien-1-yl)methanethiol
CID 164589440
azocin-3-ylmethanol
CID 163520505
methyl 3-(hydroxymethyl)cyclopenta-1,4-diene-1-carboxylate
CID 130129749
4-(5-chlorocyclohepta-1,3,6-trien-1-yl)-N-methylbutan-2-imine
CID 138546636
[3-(hydroxymethyl)-2H-pyran-2-yl]methanol
CID 150296663

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol (CID 144663501) is [4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol is OCC1=CC=CC(CO)C=C1.
What is the InChIKey of [4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol?
The InChIKey is QOGNXYHAGUIJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-6-8-2-1-3-9(7-11)5-4-8/h1-5,8,10-11H,6-7H2.
What are the key properties of [4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol?
[4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol has a molecular weight of 152.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol is sourced from PubChem (CID 144663501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).