2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol

C9H14O3 — CID 67477541

IUPAC2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CC(CO)=C(O)C(CO)C1
InChIInChI=1S/C9H14O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2,8,10-12H,3-5H2,1H3
InChIKeyRDDQQSHJSDIMFY-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.75
Rot. Bonds2

About 2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol

2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol (PubChem CID 67477541) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol
PubChem CID67477541
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CC(CO)=C(O)C(CO)C1
InChIInChI=1S/C9H14O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2,8,10-12H,3-5H2,1H3
InChIKeyRDDQQSHJSDIMFY-UHFFFAOYSA-N
XLogP0.75
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyldihydroresorcinol
CID 68149202
2,4,6-Trimethylchinol
CID 68158760
2-Propan-2-ylcyclohexa-2,4-dien-1-ol
CID 123660700
2,4-Dimethylol-4-methylphenol
CID 129712886
2,4-Bis(hydroxymethyl)-4,6-dimethylcyclohexa-1,5-dien-1-ol
CID 147446602
(6-Propan-2-ylcyclohexa-1,5-dien-1-yl)methanol
CID 156828938
4-Tert-butyl-2,6-bis(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 163452959
2,6-Bis(hydroxymethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol
CID 164045736
4-Tert-butyl-2,6-bis(hydroxymethyl)cyclohexa-1,5-dien-1-ol
CID 174342922
(E,2R,3R,6R)-2,4,6-trimethylnon-4-ene-1,3-diol
CID 11217892
(2-Methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol
CID 14446832
3-(Propan-2-yl)cyclohexa-3,5-diene-1,2-diol
CID 71333746

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol (CID 67477541) is 2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol is CC1=CC(CO)=C(O)C(CO)C1.
What is the InChIKey of 2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is RDDQQSHJSDIMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2,8,10-12H,3-5H2,1H3.
What are the key properties of 2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol?
2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 170.21 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 67477541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).