4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol

C13H16O2 — CID 167077035

IUPAC4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol
SMILESCOC1=CC=C(C2=CC=C(O)CC2)CC1
InChIInChI=1S/C13H16O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2,4,6,8,14H,3,5,7,9H2,1H3
InChIKeyVLMWUSWIMVKEFB-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.40
Rot. Bonds2

About 4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol

4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol (PubChem CID 167077035) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol
PubChem CID167077035
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol
SMILESCOC1=CC=C(C2=CC=C(O)CC2)CC1
InChIInChI=1S/C13H16O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2,4,6,8,14H,3,5,7,9H2,1H3
InChIKeyVLMWUSWIMVKEFB-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol (CID 167077035) is 4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol is COC1=CC=C(C2=CC=C(O)CC2)CC1.
What is the InChIKey of 4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol?
The InChIKey is VLMWUSWIMVKEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2,4,6,8,14H,3,5,7,9H2,1H3.
What are the key properties of 4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol?
4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol has a molecular weight of 204.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 167077035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).