cyclohepten-1-yl-(2,6-dichlorophenyl)methanol

C14H16Cl2O — CID 63427509

IUPACcyclohepten-1-yl-(2,6-dichlorophenyl)methanol
SMILESOC(C1=CCCCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2O/c15-11-8-5-9-12(16)13(11)14(17)10-6-3-1-2-4-7-10/h5-6,8-9,14,17H,1-4,7H2
InChIKeyABNMCOSMCXCMNC-UHFFFAOYSA-N
MW271.19 g/mol
LogP4.92
Rot. Bonds2

About cyclohepten-1-yl-(2,6-dichlorophenyl)methanol

cyclohepten-1-yl-(2,6-dichlorophenyl)methanol (PubChem CID 63427509) has the molecular formula C14H16Cl2O and a molecular weight of 271.19 g/mol. Its IUPAC name is cyclohepten-1-yl-(2,6-dichlorophenyl)methanol.

Molecular Properties

Compound Namecyclohepten-1-yl-(2,6-dichlorophenyl)methanol
PubChem CID63427509
Molecular FormulaC14H16Cl2O
Molecular Weight271.19 g/mol
Exact Mass270.06
IUPAC Namecyclohepten-1-yl-(2,6-dichlorophenyl)methanol
SMILESOC(C1=CCCCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2O/c15-11-8-5-9-12(16)13(11)14(17)10-6-3-1-2-4-7-10/h5-6,8-9,14,17H,1-4,7H2
InChIKeyABNMCOSMCXCMNC-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-methoxyphenyl)-(cyclohexen-1-yl)methanol
CID 106651584
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657539
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
CID 63427383
cyclohepten-1-yl(thiophen-2-yl)methanol
CID 62077908
(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol
CID 106657827
[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
CID 106657529
(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
CID 106651534
(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol
CID 82815650

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(2,6-dichlorophenyl)methanol?
The IUPAC name of cyclohepten-1-yl-(2,6-dichlorophenyl)methanol (CID 63427509) is cyclohepten-1-yl-(2,6-dichlorophenyl)methanol.
What is the SMILES notation for cyclohepten-1-yl-(2,6-dichlorophenyl)methanol?
The canonical SMILES for cyclohepten-1-yl-(2,6-dichlorophenyl)methanol is OC(C1=CCCCCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of cyclohepten-1-yl-(2,6-dichlorophenyl)methanol?
The InChIKey is ABNMCOSMCXCMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O/c15-11-8-5-9-12(16)13(11)14(17)10-6-3-1-2-4-7-10/h5-6,8-9,14,17H,1-4,7H2.
What are the key properties of cyclohepten-1-yl-(2,6-dichlorophenyl)methanol?
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol has a molecular weight of 271.19 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(2,6-dichlorophenyl)methanol is sourced from PubChem (CID 63427509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).