(7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol

C11H15ClO2 — CID 123411719

IUPAC(7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol
SMILESCOC1=C(Cl)C=CC(C)CC=C1CO
InChIInChI=1S/C11H15ClO2/c1-8-3-5-9(7-13)11(14-2)10(12)6-4-8/h4-6,8,13H,3,7H2,1-2H3
InChIKeyZVNRYECVSJKMAA-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.60
Rot. Bonds2

About (7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol

(7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol (PubChem CID 123411719) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is (7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol.

Molecular Properties

Compound Name(7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol
PubChem CID123411719
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name(7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol
SMILESCOC1=C(Cl)C=CC(C)CC=C1CO
InChIInChI=1S/C11H15ClO2/c1-8-3-5-9(7-13)11(14-2)10(12)6-4-8/h4-6,8,13H,3,7H2,1-2H3
InChIKeyZVNRYECVSJKMAA-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol?
The IUPAC name of (7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol (CID 123411719) is (7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol.
What is the SMILES notation for (7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol?
The canonical SMILES for (7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol is COC1=C(Cl)C=CC(C)CC=C1CO.
What is the InChIKey of (7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol?
The InChIKey is ZVNRYECVSJKMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-8-3-5-9(7-13)11(14-2)10(12)6-4-8/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of (7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol?
(7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol has a molecular weight of 214.69 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-8-methoxy-4-methylcycloocta-1,5,7-trien-1-yl)methanol is sourced from PubChem (CID 123411719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).