4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol

C19H20O2 — CID 63214547

IUPAC4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
SMILESCc1cccc(COc2ccc(C#CCCO)cc2C)c1
InChIInChI=1S/C19H20O2/c1-15-6-5-8-18(12-15)14-21-19-10-9-17(13-16(19)2)7-3-4-11-20/h5-6,8-10,12-13,20H,4,11,14H2,1-2H3
InChIKeyZZWPTPAVRIJWDJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.62
Rot. Bonds4

About 4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol

4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol (PubChem CID 63214547) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
PubChem CID63214547
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
SMILESCc1cccc(COc2ccc(C#CCCO)cc2C)c1
InChIInChI=1S/C19H20O2/c1-15-6-5-8-18(12-15)14-21-19-10-9-17(13-16(19)2)7-3-4-11-20/h5-6,8-10,12-13,20H,4,11,14H2,1-2H3
InChIKeyZZWPTPAVRIJWDJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.62
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

4-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]but-3-yn-1-ol
CID 102878083
4-[3-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
CID 60801313
4-[4-(2-fluoroethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 80694952
4-[3-fluoro-5-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
CID 81314616
4-[4-(3-methoxypropoxy)-3-methylphenyl]but-3-yn-1-ol
CID 55163667
4-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]but-3-yn-1-ol
CID 63214502
4-[4-(cyclopropylmethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 63214585
4-[3-methyl-4-(3-methylbutoxy)phenyl]but-3-yn-1-ol
CID 63214237
4-[3-[(3-chlorophenyl)methoxy]-4-fluorophenyl]but-3-yn-1-ol
CID 114675375
3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
CID 102878082
4-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]but-3-yn-1-ol
CID 64565315
4-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]but-3-yn-1-ol
CID 63214888

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol (CID 63214547) is 4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol is Cc1cccc(COc2ccc(C#CCCO)cc2C)c1.
What is the InChIKey of 4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol?
The InChIKey is ZZWPTPAVRIJWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-15-6-5-8-18(12-15)14-21-19-10-9-17(13-16(19)2)7-3-4-11-20/h5-6,8-10,12-13,20H,4,11,14H2,1-2H3.
What are the key properties of 4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol?
4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol has a molecular weight of 280.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 63214547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).