(2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol

C8H11ClO2 — CID 142055764

IUPAC(2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol
SMILESCOC1C=CC(CO)=C(Cl)C1
InChIInChI=1S/C8H11ClO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-3,7,10H,4-5H2,1H3
InChIKeyKKJHSYZJUIBUOW-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.45
Rot. Bonds2

About (2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol

(2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol (PubChem CID 142055764) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is (2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol
PubChem CID142055764
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Name(2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol
SMILESCOC1C=CC(CO)=C(Cl)C1
InChIInChI=1S/C8H11ClO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-3,7,10H,4-5H2,1H3
InChIKeyKKJHSYZJUIBUOW-UHFFFAOYSA-N
XLogP1.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol?
The IUPAC name of (2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol (CID 142055764) is (2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol.
What is the SMILES notation for (2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol?
The canonical SMILES for (2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol is COC1C=CC(CO)=C(Cl)C1.
What is the InChIKey of (2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol?
The InChIKey is KKJHSYZJUIBUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-3,7,10H,4-5H2,1H3.
What are the key properties of (2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol?
(2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol has a molecular weight of 174.63 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methanol is sourced from PubChem (CID 142055764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).