4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol

C21H26O2 — CID 122498275

IUPAC4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol
SMILESCc1cc(C)cc(COc2ccc(C3CCC(O)CC3)cc2)c1
InChIInChI=1S/C21H26O2/c1-15-11-16(2)13-17(12-15)14-23-21-9-5-19(6-10-21)18-3-7-20(22)8-4-18/h5-6,9-13,18,20,22H,3-4,7-8,14H2,1-2H3
InChIKeyYMUWULDGIRNMMO-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.90
Rot. Bonds4

About 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol

4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol (PubChem CID 122498275) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol
PubChem CID122498275
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol
SMILESCc1cc(C)cc(COc2ccc(C3CCC(O)CC3)cc2)c1
InChIInChI=1S/C21H26O2/c1-15-11-16(2)13-17(12-15)14-23-21-9-5-19(6-10-21)18-3-7-20(22)8-4-18/h5-6,9-13,18,20,22H,3-4,7-8,14H2,1-2H3
InChIKeyYMUWULDGIRNMMO-UHFFFAOYSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde
CID 144517804
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol
CID 71195872
1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene
CID 144924352
1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
CID 60644543
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
4-[4-(cyclohexylmethoxy)phenyl]cyclohexan-1-ol
CID 129014399
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78930281
1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118595910
4-[(3,5-dimethylphenyl)methoxy]benzenecarbothioamide
CID 54911327
(E)-3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 61029647
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78933049

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol (CID 122498275) is 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol is Cc1cc(C)cc(COc2ccc(C3CCC(O)CC3)cc2)c1.
What is the InChIKey of 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol?
The InChIKey is YMUWULDGIRNMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-15-11-16(2)13-17(12-15)14-23-21-9-5-19(6-10-21)18-3-7-20(22)8-4-18/h5-6,9-13,18,20,22H,3-4,7-8,14H2,1-2H3.
What are the key properties of 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol?
4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol has a molecular weight of 310.44 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol is sourced from PubChem (CID 122498275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).