4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol

C18H18O2 — CID 83134790

IUPAC4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol
SMILESCc1cc(OCc2ccccc2)ccc1C#CCCO
InChIInChI=1S/C18H18O2/c1-15-13-18(11-10-17(15)9-5-6-12-19)20-14-16-7-3-2-4-8-16/h2-4,7-8,10-11,13,19H,6,12,14H2,1H3
InChIKeyHUWAGOYYSRPZCR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.31
Rot. Bonds4

About 4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol

4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol (PubChem CID 83134790) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol
PubChem CID83134790
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol
SMILESCc1cc(OCc2ccccc2)ccc1C#CCCO
InChIInChI=1S/C18H18O2/c1-15-13-18(11-10-17(15)9-5-6-12-19)20-14-16-7-3-2-4-8-16/h2-4,7-8,10-11,13,19H,6,12,14H2,1H3
InChIKeyHUWAGOYYSRPZCR-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.31
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-[[4-(4-hydroxybut-1-ynyl)-3-methylphenoxy]methyl]phenol
CID 83137384
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536
3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol
CID 83137255
4-(4-hexoxy-2-methylphenyl)but-3-yn-1-ol
CID 83135333
4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol
CID 83134632
4-[2-methyl-4-(2-methylbutoxy)phenyl]but-3-yn-1-ol
CID 83135257
4-(2,4-dimethylphenyl)but-3-yn-1-ol
CID 60801281
4-[4-(2-ethylhexoxy)-2-methylphenyl]but-3-yn-1-ol
CID 83137393
3-[4-[(4-chlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
CID 83134488
4-[3-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
CID 60801313
4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol
CID 83134165
2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene
CID 83937148

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol?
The IUPAC name of 4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol (CID 83134790) is 4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol.
What is the SMILES notation for 4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol?
The canonical SMILES for 4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol is Cc1cc(OCc2ccccc2)ccc1C#CCCO.
What is the InChIKey of 4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol?
The InChIKey is HUWAGOYYSRPZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-15-13-18(11-10-17(15)9-5-6-12-19)20-14-16-7-3-2-4-8-16/h2-4,7-8,10-11,13,19H,6,12,14H2,1H3.
What are the key properties of 4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol?
4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol has a molecular weight of 266.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol is sourced from PubChem (CID 83134790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).