4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol

C20H24O4 — CID 118229789

IUPAC4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
SMILESOc1ccc(OCC2CCC(COc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C20H24O4/c21-17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(22)8-12-20/h5-12,15-16,21-22H,1-4,13-14H2
InChIKeyKAYIQCKTZSVBFY-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.36
Rot. Bonds6

About 4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol

4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol (PubChem CID 118229789) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol.

Molecular Properties

Compound Name4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
PubChem CID118229789
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
SMILESOc1ccc(OCC2CCC(COc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C20H24O4/c21-17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(22)8-12-20/h5-12,15-16,21-22H,1-4,13-14H2
InChIKeyKAYIQCKTZSVBFY-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate
CID 89467653
1-bromo-4-(cyclobutylmethoxy)benzene;bromomethylcyclobutane;4-bromophenol
CID 161332440
cyclopropylmethoxybenzene
CID 12712156
4-(azetidin-2-ylmethoxy)phenol
CID 115070936
4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310
1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene
CID 22416597
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol
CID 117292728
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
4-[4-(oxetan-2-ylmethoxy)phenyl]phenol
CID 22482668
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
7-(cyclopropylmethoxy)naphthalen-1-ol
CID 167556303

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol?
The IUPAC name of 4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol (CID 118229789) is 4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol.
What is the SMILES notation for 4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol?
The canonical SMILES for 4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol is Oc1ccc(OCC2CCC(COc3ccc(O)cc3)CC2)cc1.
What is the InChIKey of 4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol?
The InChIKey is KAYIQCKTZSVBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c21-17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(22)8-12-20/h5-12,15-16,21-22H,1-4,13-14H2.
What are the key properties of 4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol?
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol has a molecular weight of 328.41 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol is sourced from PubChem (CID 118229789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).