3-methoxycyclohexa-1,3-dien-1-ol

C7H10O2 — CID 19786250

IUPAC3-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=CCCC(O)=C1
InChIInChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h4-5,8H,2-3H2,1H3
InChIKeyQKWJYKYZHKOJLV-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.75
Rot. Bonds1

About 3-methoxycyclohexa-1,3-dien-1-ol

3-methoxycyclohexa-1,3-dien-1-ol (PubChem CID 19786250) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3-methoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-methoxycyclohexa-1,3-dien-1-ol
PubChem CID19786250
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=CCCC(O)=C1
InChIInChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h4-5,8H,2-3H2,1H3
InChIKeyQKWJYKYZHKOJLV-UHFFFAOYSA-N
XLogP1.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-1,3-cyclohexadiene
CID 141599
Dimethoxycyclohexadiene
CID 14358150
Dihydroresorcinol methyl ether
CID 89113435
4-Fluoro-2-methoxycyclohexa-1,3-dien-1-ol
CID 153377828
4-Fluoro-3-methoxycyclohexa-1,3-dien-1-ol
CID 166815640
4-Fluoro-1,2-dimethoxycyclohexa-1,3-diene
CID 173712571
5-Fluoro-5-methoxycyclohexa-1,3-dien-1-ol
CID 175549223
Carbon monoxide;1,3-dimethoxycyclohexa-1,3-diene;iron
CID 12568775
1,3-Cyclohexadien-1-ol, 6-fluoro-3,5-dimethoxy-
CID 45120079
1,3-Dimethoxycyclohexa-1,3-diene
CID 12322321
1,2,4-Trimethoxycyclohexa-1,3-diene
CID 19069008
2-Methoxy-4-methylcyclohexa-1,3-dien-1-ol
CID 19350668

Frequently Asked Questions

What is the IUPAC name of 3-methoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-methoxycyclohexa-1,3-dien-1-ol (CID 19786250) is 3-methoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-methoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-methoxycyclohexa-1,3-dien-1-ol is COC1=CCCC(O)=C1.
What is the InChIKey of 3-methoxycyclohexa-1,3-dien-1-ol?
The InChIKey is QKWJYKYZHKOJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h4-5,8H,2-3H2,1H3.
What are the key properties of 3-methoxycyclohexa-1,3-dien-1-ol?
3-methoxycyclohexa-1,3-dien-1-ol has a molecular weight of 126.15 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 19786250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).