3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol

C18H22O3 — CID 56973826

IUPAC3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
SMILESOCC(COCC(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O3/c19-11-17(15-7-3-1-4-8-15)13-21-14-18(12-20)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChIKeyZSJMKIVCGHXVSM-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.56
Rot. Bonds8

About 3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol

3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol (PubChem CID 56973826) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
PubChem CID56973826
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
SMILESOCC(COCC(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O3/c19-11-17(15-7-3-1-4-8-15)13-21-14-18(12-20)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChIKeyZSJMKIVCGHXVSM-UHFFFAOYSA-N
XLogP2.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
O-(3-hydroxy-2-phenylpropyl) carbamothioate
CID 19956651
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
(3-hydroxy-2-phenylpropyl)-λ2-stannane
CID 173264317
carbamic acid;(3-hydroxy-2-phenylpropyl) acetate
CID 67572448
2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol
CID 102940911
3-(2,2-difluoroethoxy)-2-phenylpropane-1-thiol
CID 82010530
1-(2-phenyltridecoxy)tridecan-2-ylbenzene
CID 175374761
3-[2-(hydroxymethyl)phenyl]-2-phenylpropan-1-ol
CID 101198305
2-phenyl-5-(2-phenylethyl)hexane-1,6-diol
CID 70367489
2-phenyl-4-phosphorosooxybutan-1-ol
CID 57195519
5,5-dimethyl-2-phenylhexan-1-ol
CID 66060280

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol?
The IUPAC name of 3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol (CID 56973826) is 3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol is OCC(COCC(CO)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol?
The InChIKey is ZSJMKIVCGHXVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c19-11-17(15-7-3-1-4-8-15)13-21-14-18(12-20)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2.
What are the key properties of 3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol?
3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol is sourced from PubChem (CID 56973826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).