1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol

C14H19ClO2 — CID 106873721

IUPAC1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol
SMILESCOC1CCCCC1(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO2/c1-17-13-4-2-3-9-14(13,16)10-11-5-7-12(15)8-6-11/h5-8,13,16H,2-4,9-10H2,1H3
InChIKeyUSZBLXPXZYWSLJ-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.20
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol

1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol (PubChem CID 106873721) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol
PubChem CID106873721
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol
SMILESCOC1CCCCC1(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO2/c1-17-13-4-2-3-9-14(13,16)10-11-5-7-12(15)8-6-11/h5-8,13,16H,2-4,9-10H2,1H3
InChIKeyUSZBLXPXZYWSLJ-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol (CID 106873721) is 1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol is COC1CCCCC1(O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol?
The InChIKey is USZBLXPXZYWSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-17-13-4-2-3-9-14(13,16)10-11-5-7-12(15)8-6-11/h5-8,13,16H,2-4,9-10H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol?
1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol has a molecular weight of 254.76 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol is sourced from PubChem (CID 106873721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).