2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol

C10H14O2 — CID 57057451

IUPAC2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol
SMILESC=CCC1=CCC=C(OC)C1O
InChIInChI=1S/C10H14O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3,6-7,10-11H,1,4-5H2,2H3
InChIKeyKSUMNEXQEZOWJP-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.78
Rot. Bonds3

About 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol

2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol (PubChem CID 57057451) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol
PubChem CID57057451
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol
SMILESC=CCC1=CCC=C(OC)C1O
InChIInChI=1S/C10H14O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3,6-7,10-11H,1,4-5H2,2H3
InChIKeyKSUMNEXQEZOWJP-UHFFFAOYSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ubiquinol 8
CID 22833558
2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol
CID 53481017
2-((2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-diol
CID 6504740
cis-1,2-Dihydro-3-ethylcatechol
CID 441155
Dihydro dihydro coniferyl alcohol
CID 171934039
cis-3-Ethyl-3,5-cyclohexadiene-1,2-diol
CID 9543016
4-Hydroxymethyl-1-methoxy-1,4-cyclohexadiene
CID 15557865
(S)-1,4-dioxin-2-yl-(2-fluorocyclohexa-1,3-dien-1-yl)methanol
CID 69619753
(Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol
CID 137453472
2-Ethoxy-4,5-dimethylcyclohexa-2,4-dien-1-ol
CID 141889934
(1R,4S)-2,3-dimethoxy-5-methyl-6-[(2E,6E,10Z,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-diol
CID 155295712
6-Ethyl-2,6-decadiene-4,5-diol
CID 559110

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol?
The IUPAC name of 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol (CID 57057451) is 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol?
The canonical SMILES for 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol is C=CCC1=CCC=C(OC)C1O.
What is the InChIKey of 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol?
The InChIKey is KSUMNEXQEZOWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3,6-7,10-11H,1,4-5H2,2H3.
What are the key properties of 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol?
2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 57057451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).