(4-methoxycyclohexa-1,4-dien-1-yl)methanol

C8H12O2 — CID 15557865

IUPAC(4-methoxycyclohexa-1,4-dien-1-yl)methanol
SMILESCOC1=CCC(CO)=CC1
InChIInChI=1S/C8H12O2/c1-10-8-4-2-7(6-9)3-5-8/h2,5,9H,3-4,6H2,1H3
InChIKeyOUGCLYMJIGVCFH-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.23
Rot. Bonds2

About (4-methoxycyclohexa-1,4-dien-1-yl)methanol

(4-methoxycyclohexa-1,4-dien-1-yl)methanol (PubChem CID 15557865) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (4-methoxycyclohexa-1,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(4-methoxycyclohexa-1,4-dien-1-yl)methanol
PubChem CID15557865
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(4-methoxycyclohexa-1,4-dien-1-yl)methanol
SMILESCOC1=CCC(CO)=CC1
InChIInChI=1S/C8H12O2/c1-10-8-4-2-7(6-9)3-5-8/h2,5,9H,3-4,6H2,1H3
InChIKeyOUGCLYMJIGVCFH-UHFFFAOYSA-N
XLogP1.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexa-1,4-dien-1-yl)methanol?
The IUPAC name of (4-methoxycyclohexa-1,4-dien-1-yl)methanol (CID 15557865) is (4-methoxycyclohexa-1,4-dien-1-yl)methanol.
What is the SMILES notation for (4-methoxycyclohexa-1,4-dien-1-yl)methanol?
The canonical SMILES for (4-methoxycyclohexa-1,4-dien-1-yl)methanol is COC1=CCC(CO)=CC1.
What is the InChIKey of (4-methoxycyclohexa-1,4-dien-1-yl)methanol?
The InChIKey is OUGCLYMJIGVCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-10-8-4-2-7(6-9)3-5-8/h2,5,9H,3-4,6H2,1H3.
What are the key properties of (4-methoxycyclohexa-1,4-dien-1-yl)methanol?
(4-methoxycyclohexa-1,4-dien-1-yl)methanol has a molecular weight of 140.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexa-1,4-dien-1-yl)methanol is sourced from PubChem (CID 15557865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).