3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol

C17H15ClO2 — CID 60801804

IUPAC3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
SMILESCc1ccc(OCc2ccccc2Cl)c(C#CCO)c1
InChIInChI=1S/C17H15ClO2/c1-13-8-9-17(14(11-13)6-4-10-19)20-12-15-5-2-3-7-16(15)18/h2-3,5,7-9,11,19H,10,12H2,1H3
InChIKeyARGIVJBHTGZNFJ-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.57
Rot. Bonds3

About 3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol

3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol (PubChem CID 60801804) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
PubChem CID60801804
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
SMILESCc1ccc(OCc2ccccc2Cl)c(C#CCO)c1
InChIInChI=1S/C17H15ClO2/c1-13-8-9-17(14(11-13)6-4-10-19)20-12-15-5-2-3-7-16(15)18/h2-3,5,7-9,11,19H,10,12H2,1H3
InChIKeyARGIVJBHTGZNFJ-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol
CID 106868906
3-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 114857333
3-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 55108396
3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 60800065
3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 105374454
3-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 102858082
4-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
CID 60800079
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
3-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706915
3-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-amine
CID 103049253
2-(3-chloroprop-1-ynyl)-1-[(2,5-dimethylphenyl)methoxy]-4-methylbenzene
CID 63418732
3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol
CID 60800596

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol (CID 60801804) is 3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol is Cc1ccc(OCc2ccccc2Cl)c(C#CCO)c1.
What is the InChIKey of 3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol?
The InChIKey is ARGIVJBHTGZNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-13-8-9-17(14(11-13)6-4-10-19)20-12-15-5-2-3-7-16(15)18/h2-3,5,7-9,11,19H,10,12H2,1H3.
What are the key properties of 3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol?
3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol has a molecular weight of 286.76 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 60801804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).