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

C18H18O2 — CID 60800065

IUPAC3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCc1cccc(COc2ccc(C)cc2C#CCO)c1
InChIInChI=1S/C18H18O2/c1-14-5-3-6-16(11-14)13-20-18-9-8-15(2)12-17(18)7-4-10-19/h3,5-6,8-9,11-12,19H,10,13H2,1-2H3
InChIKeyCXMUNBPKLOORLP-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.23
Rot. Bonds3

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

3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol (PubChem CID 60800065) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
PubChem CID60800065
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCc1cccc(COc2ccc(C)cc2C#CCO)c1
InChIInChI=1S/C18H18O2/c1-14-5-3-6-16(11-14)13-20-18-9-8-15(2)12-17(18)7-4-10-19/h3,5-6,8-9,11-12,19H,10,13H2,1-2H3
InChIKeyCXMUNBPKLOORLP-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.23
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

2-(4-chlorobut-1-ynyl)-4-methyl-1-[(3-methylphenyl)methoxy]benzene
CID 60800286
3-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 55108396
3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 60801804
2-(3-chloroprop-1-ynyl)-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 60799542
5-methyl-2-[(3-methylphenyl)methoxy]phenol
CID 82051938
3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 105374454
3-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 114857333
3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol
CID 60800596
3-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801508
4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
CID 60800953
3-[2-(2-ethylsulfonylethoxy)-5-methylphenyl]prop-2-yn-1-ol
CID 54914350
4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
CID 63214547

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol (CID 60800065) is 3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol is Cc1cccc(COc2ccc(C)cc2C#CCO)c1.
What is the InChIKey of 3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is CXMUNBPKLOORLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-14-5-3-6-16(11-14)13-20-18-9-8-15(2)12-17(18)7-4-10-19/h3,5-6,8-9,11-12,19H,10,13H2,1-2H3.
What are the key properties of 3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol?
3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 266.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 60800065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).