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

C20H24O4 — CID 118229832

IUPAC[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
SMILESOCc1ccc(OC2CCC(Oc3ccc(CO)cc3)CC2)cc1
InChIInChI=1S/C20H24O4/c21-13-15-1-5-17(6-2-15)23-19-9-11-20(12-10-19)24-18-7-3-16(14-22)4-8-18/h1-8,19-22H,9-14H2
InChIKeyKNCYRXXCHOJWLU-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.44
Rot. Bonds6

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

[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol (PubChem CID 118229832) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is [4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
PubChem CID118229832
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
SMILESOCc1ccc(OC2CCC(Oc3ccc(CO)cc3)CC2)cc1
InChIInChI=1S/C20H24O4/c21-13-15-1-5-17(6-2-15)23-19-9-11-20(12-10-19)24-18-7-3-16(14-22)4-8-18/h1-8,19-22H,9-14H2
InChIKeyKNCYRXXCHOJWLU-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-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229827
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
(3-cyclopropyloxyphenyl)methanol
CID 57336629
[4-[4-[4-(hydroxymethyl)phenoxy]dioxetan-3-yl]oxyphenyl]methanol
CID 102224762
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol
CID 107709472
2-(4-cyclopropyloxyphenyl)acetonitrile
CID 84766439
1-cyclopropyloxy-4-prop-2-enylbenzene
CID 114520509
4-[4-(hydroxymethyl)phenoxy]azetidin-2-one
CID 86745595
tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
CID 22632413
1-ethyl-4-(4-methylcyclohexyl)oxybenzene
CID 21137256
CID 22942586
CID 22942586
4-amino-1-[4-[4-(hydroxymethyl)phenoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 68594639

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol?
The IUPAC name of [4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol (CID 118229832) is [4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol.
What is the SMILES notation for [4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol?
The canonical SMILES for [4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol is OCc1ccc(OC2CCC(Oc3ccc(CO)cc3)CC2)cc1.
What is the InChIKey of [4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol?
The InChIKey is KNCYRXXCHOJWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c21-13-15-1-5-17(6-2-15)23-19-9-11-20(12-10-19)24-18-7-3-16(14-22)4-8-18/h1-8,19-22H,9-14H2.
What are the key properties of [4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol?
[4-[4-[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-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol is sourced from PubChem (CID 118229832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).