[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol

C20H24O4 — CID 118229827

IUPAC[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
SMILESOCc1ccc(OC2CCCC(Oc3ccc(CO)cc3)C2)cc1
InChIInChI=1S/C20H24O4/c21-13-15-4-8-17(9-5-15)23-19-2-1-3-20(12-19)24-18-10-6-16(14-22)7-11-18/h4-11,19-22H,1-3,12-14H2
InChIKeyIKTTVZAAAQDHJJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.44
Rot. Bonds6

About [4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol

[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol (PubChem CID 118229827) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is [4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
PubChem CID118229827
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
SMILESOCc1ccc(OC2CCCC(Oc3ccc(CO)cc3)C2)cc1
InChIInChI=1S/C20H24O4/c21-13-15-4-8-17(9-5-15)23-19-2-1-3-20(12-19)24-18-10-6-16(14-22)7-11-18/h4-11,19-22H,1-3,12-14H2
InChIKeyIKTTVZAAAQDHJJ-UHFFFAOYSA-N
XLogP3.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229832
N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
CID 19038365
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
2-[4-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 107709492
formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
CID 19038364
1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one
CID 115495273
3-(4-benzylphenoxy)cyclohexan-1-ol
CID 79599479
1-cyclobutyloxy-4-propylbenzene
CID 178141621
1-(4-cyclobutyloxyphenyl)propan-2-ol
CID 117295049
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one
CID 115495306

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol?
The IUPAC name of [4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol (CID 118229827) is [4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol.
What is the SMILES notation for [4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol?
The canonical SMILES for [4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol is OCc1ccc(OC2CCCC(Oc3ccc(CO)cc3)C2)cc1.
What is the InChIKey of [4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol?
The InChIKey is IKTTVZAAAQDHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c21-13-15-4-8-17(9-5-15)23-19-2-1-3-20(12-19)24-18-10-6-16(14-22)7-11-18/h4-11,19-22H,1-3,12-14H2.
What are the key properties of [4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol?
[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol has a molecular weight of 328.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol is sourced from PubChem (CID 118229827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).