(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone

C16H15ClO3 — CID 70878263

IUPAC(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OCCCO)cc1
InChIInChI=1S/C16H15ClO3/c17-14-6-2-12(3-7-14)16(19)13-4-8-15(9-5-13)20-11-1-10-18/h2-9,18H,1,10-11H2
InChIKeyANVFFIMKQNMZEF-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.33
Rot. Bonds6

About (4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone

(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone (PubChem CID 70878263) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone
PubChem CID70878263
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(OCCCO)cc1
InChIInChI=1S/C16H15ClO3/c17-14-6-2-12(3-7-14)16(19)13-4-8-15(9-5-13)20-11-1-10-18/h2-9,18H,1,10-11H2
InChIKeyANVFFIMKQNMZEF-UHFFFAOYSA-N
XLogP3.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-hydroxypropoxy)benzoic acid
CID 13423286
3-[4-[N-(4-chlorophenyl)-4-(3-hydroxypropoxy)anilino]phenoxy]propan-1-ol
CID 59739465
[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 7919222
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 164811325
2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 78883338
[4-(6-hydroxyhexoxy)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methanone
CID 144696670
ethyl 4-[11-(4-chlorophenoxy)undecoxy]benzoate
CID 21319306
4-[2-(4-chlorophenyl)sulfanylethoxy]benzoic acid
CID 20992125
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone (CID 70878263) is (4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccc(OCCCO)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone?
The InChIKey is ANVFFIMKQNMZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c17-14-6-2-12(3-7-14)16(19)13-4-8-15(9-5-13)20-11-1-10-18/h2-9,18H,1,10-11H2.
What are the key properties of (4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone?
(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone has a molecular weight of 290.75 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone is sourced from PubChem (CID 70878263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).