4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol

C18H22O3 — CID 70641733

IUPAC4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol
SMILESCCC(O)Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H22O3/c1-4-17(20)21-16-11-7-14(8-12-16)18(2,3)13-5-9-15(19)10-6-13/h5-12,17,19-20H,4H2,1-3H3
InChIKeyOILAWOPQUFDDMO-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.83
Rot. Bonds5

About 4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol

4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol (PubChem CID 70641733) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol
PubChem CID70641733
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol
SMILESCCC(O)Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H22O3/c1-4-17(20)21-16-11-7-14(8-12-16)18(2,3)13-5-9-15(19)10-6-13/h5-12,17,19-20H,4H2,1-3H3
InChIKeyOILAWOPQUFDDMO-UHFFFAOYSA-N
XLogP3.83
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
dodecyl-dihydroxy-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phosphanium
CID 141258021
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[2-[4-[1-[9-[1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]ethoxy]nonoxy]ethoxy]phenyl]propan-2-yl]phenol
CID 59701640
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
4-[2-[4-[4-hydroxy-5-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-2-methylpentan-2-yl]phenyl]propan-2-yl]phenol;propane
CID 144589117
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
1-[4-(bromomethyl)phenoxy]propan-1-ol
CID 139754886

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol (CID 70641733) is 4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol is CCC(O)Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol?
The InChIKey is OILAWOPQUFDDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-17(20)21-16-11-7-14(8-12-16)18(2,3)13-5-9-15(19)10-6-13/h5-12,17,19-20H,4H2,1-3H3.
What are the key properties of 4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol?
4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol has a molecular weight of 286.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol is sourced from PubChem (CID 70641733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).