4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol

C38H34N2O3 — CID 10698227

IUPAC4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol
SMILESOC1CCC(c2ccc(OCc3ccc4ccccc4n3)cc2)(c2ccc(OCc3ccc4ccccc4n3)cc2)CC1
InChIInChI=1S/C38H34N2O3/c41-33-21-23-38(24-22-33,29-11-17-34(18-12-29)42-25-31-15-9-27-5-1-3-7-36(27)39-31)30-13-19-35(20-14-30)43-26-32-16-10-28-6-2-4-8-37(28)40-32/h1-20,33,41H,21-26H2
InChIKeyFCVHZQZACSPLNV-UHFFFAOYSA-N
MW566.70 g/mol
LogP8.16
Rot. Bonds8

About 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol

4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol (PubChem CID 10698227) has the molecular formula C38H34N2O3 and a molecular weight of 566.70 g/mol. Its IUPAC name is 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol
PubChem CID10698227
Molecular FormulaC38H34N2O3
Molecular Weight566.70 g/mol
Exact Mass566.26
IUPAC Name4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol
SMILESOC1CCC(c2ccc(OCc3ccc4ccccc4n3)cc2)(c2ccc(OCc3ccc4ccccc4n3)cc2)CC1
InChIInChI=1S/C38H34N2O3/c41-33-21-23-38(24-22-33,29-11-17-34(18-12-29)42-25-31-15-9-27-5-1-3-7-36(27)39-31)30-13-19-35(20-14-30)43-26-32-16-10-28-6-2-4-8-37(28)40-32/h1-20,33,41H,21-26H2
InChIKeyFCVHZQZACSPLNV-UHFFFAOYSA-N
XLogP8.16
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 67726997
CID 67726997
methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
CID 15052569
2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid
CID 57179781
ethane;methane;2-(3-methyl-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)phenol
CID 143292387
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
N-[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]hydroxylamine
CID 54120459
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568

Frequently Asked Questions

What is the IUPAC name of 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol?
The IUPAC name of 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol (CID 10698227) is 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol is OC1CCC(c2ccc(OCc3ccc4ccccc4n3)cc2)(c2ccc(OCc3ccc4ccccc4n3)cc2)CC1.
What is the InChIKey of 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol?
The InChIKey is FCVHZQZACSPLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2O3/c41-33-21-23-38(24-22-33,29-11-17-34(18-12-29)42-25-31-15-9-27-5-1-3-7-36(27)39-31)30-13-19-35(20-14-30)43-26-32-16-10-28-6-2-4-8-37(28)40-32/h1-20,33,41H,21-26H2.
What are the key properties of 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol?
4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol has a molecular weight of 566.70 g/mol, XLogP of 8.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 10698227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).