4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol

C18H22O2 — CID 3606

IUPAC4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol
SMILESCCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1
InChIInChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3
InChIKeyPBBGSZCBWVPOOL-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.79
Rot. Bonds5

About 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol

4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol (PubChem CID 3606) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol
PubChem CID3606
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol
SMILESCCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1
InChIInChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3
InChIKeyPBBGSZCBWVPOOL-UHFFFAOYSA-N
XLogP4.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol (CID 3606) is 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol is CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol?
The InChIKey is PBBGSZCBWVPOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol?
4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol has a molecular weight of 270.37 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol is sourced from PubChem (CID 3606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).