(1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol

C19H20O2 — CID 102125831

IUPAC(1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol
SMILESCCCc1ccc(C#C[C@H](O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O2/c1-3-4-15-5-7-16(8-6-15)9-14-19(20)17-10-12-18(21-2)13-11-17/h5-8,10-13,19-20H,3-4H2,1-2H3/t19-/m0/s1
InChIKeyYSIAMSGWSOHNIU-IBGZPJMESA-N
MW280.37 g/mol
LogP3.73
Rot. Bonds4

About (1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol

(1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol (PubChem CID 102125831) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol
PubChem CID102125831
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol
SMILESCCCc1ccc(C#C[C@H](O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O2/c1-3-4-15-5-7-16(8-6-15)9-14-19(20)17-10-12-18(21-2)13-11-17/h5-8,10-13,19-20H,3-4H2,1-2H3/t19-/m0/s1
InChIKeyYSIAMSGWSOHNIU-IBGZPJMESA-N
XLogP3.73
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 ≤ 53.73
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

1-[4-(2-hydroxyethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-yn-1-ol
CID 67173555
ethane;1-methoxy-4-propylbenzene
CID 142085762
1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene
CID 63440600
[4-[2-(4-propylphenyl)ethynyl]phenyl] 4-methoxybenzoate
CID 145128075
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 613607
(1S)-1-(4-methoxyphenyl)hept-2-yn-1-ol
CID 101224445
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
1-[3,4-difluoro-6-(4-propylphenyl)hexa-1,5-diynyl]-4-propylbenzene
CID 67589454
3-(4-methoxyphenyl)-6-(4-propylphenyl)pyridazine
CID 14669906
1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-yn-1-ol
CID 67563046

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol (CID 102125831) is (1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol is CCCc1ccc(C#C[C@H](O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol?
The InChIKey is YSIAMSGWSOHNIU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20O2/c1-3-4-15-5-7-16(8-6-15)9-14-19(20)17-10-12-18(21-2)13-11-17/h5-8,10-13,19-20H,3-4H2,1-2H3/t19-/m0/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol?
(1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol has a molecular weight of 280.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 102125831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).