(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol

C16H23ClO3 — CID 116756025

IUPAC(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)C1(OC)CCCCCC1
InChIInChI=1S/C16H23ClO3/c1-19-14-8-7-12(17)11-13(14)15(18)16(20-2)9-5-3-4-6-10-16/h7-8,11,15,18H,3-6,9-10H2,1-2H3
InChIKeyQKHLHSWNFOZYSJ-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.12
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol

(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol (PubChem CID 116756025) has the molecular formula C16H23ClO3 and a molecular weight of 298.81 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
PubChem CID116756025
Molecular FormulaC16H23ClO3
Molecular Weight298.81 g/mol
Exact Mass298.13
IUPAC Name(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)C1(OC)CCCCCC1
InChIInChI=1S/C16H23ClO3/c1-19-14-8-7-12(17)11-13(14)15(18)16(20-2)9-5-3-4-6-10-16/h7-8,11,15,18H,3-6,9-10H2,1-2H3
InChIKeyQKHLHSWNFOZYSJ-UHFFFAOYSA-N
XLogP4.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753417
(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610351
1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762928
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116755788
(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116755791
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000
(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
CID 116770642
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753700
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
[(5-chloro-2-methoxyphenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276423
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181861

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol (CID 116756025) is (5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol is COc1ccc(Cl)cc1C(O)C1(OC)CCCCCC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol?
The InChIKey is QKHLHSWNFOZYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO3/c1-19-14-8-7-12(17)11-13(14)15(18)16(20-2)9-5-3-4-6-10-16/h7-8,11,15,18H,3-6,9-10H2,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol?
(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol has a molecular weight of 298.81 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol is sourced from PubChem (CID 116756025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).