[4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol

C14H17FO2 — CID 71179468

IUPAC[4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol
SMILESCOC1=C(C2C=CC(F)=CC2)C=CC(CO)C1
InChIInChI=1S/C14H17FO2/c1-17-14-8-10(9-16)2-7-13(14)11-3-5-12(15)6-4-11/h2-3,5-7,10-11,16H,4,8-9H2,1H3
InChIKeyHVDTZJBCNQQSNO-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.88
Rot. Bonds3

About [4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol

[4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol (PubChem CID 71179468) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is [4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol
PubChem CID71179468
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name[4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol
SMILESCOC1=C(C2C=CC(F)=CC2)C=CC(CO)C1
InChIInChI=1S/C14H17FO2/c1-17-14-8-10(9-16)2-7-13(14)11-3-5-12(15)6-4-11/h2-3,5-7,10-11,16H,4,8-9H2,1H3
InChIKeyHVDTZJBCNQQSNO-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol (CID 71179468) is [4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol is COC1=C(C2C=CC(F)=CC2)C=CC(CO)C1.
What is the InChIKey of [4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is HVDTZJBCNQQSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-17-14-8-10(9-16)2-7-13(14)11-3-5-12(15)6-4-11/h2-3,5-7,10-11,16H,4,8-9H2,1H3.
What are the key properties of [4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol?
[4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 236.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 71179468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).