3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol

C15H18O2 — CID 83134949

IUPAC3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol
SMILESCc1cc(OCCC2CC2)ccc1C#CCO
InChIInChI=1S/C15H18O2/c1-12-11-15(17-10-8-13-4-5-13)7-6-14(12)3-2-9-16/h6-7,11,13,16H,4-5,8-10H2,1H3
InChIKeyWSRAUXIYOBNEBT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.52
Rot. Bonds4

About 3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol

3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol (PubChem CID 83134949) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol
PubChem CID83134949
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol
SMILESCc1cc(OCCC2CC2)ccc1C#CCO
InChIInChI=1S/C15H18O2/c1-12-11-15(17-10-8-13-4-5-13)7-6-14(12)3-2-9-16/h6-7,11,13,16H,4-5,8-10H2,1H3
InChIKeyWSRAUXIYOBNEBT-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.52
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-(4-hexoxy-2-methylphenyl)prop-2-yn-1-ol
CID 83135099
3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 83134389
3-[2-methyl-4-(oxan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 83134156
3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol
CID 83137255
3-(4-butan-2-yloxy-2-methylphenyl)prop-2-yn-1-ol
CID 83134235
3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol
CID 81325890
4-(2-cyclobutylethoxy)-2-methylbenzoic acid
CID 106200438
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-cyclopropylethoxy)-2-methylbenzenecarboximidamide
CID 106202035
3-[2-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 83134569
1-(3-chloroprop-1-ynyl)-4-(3-ethoxypropoxy)-2-methylbenzene
CID 83134400

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol (CID 83134949) is 3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol is Cc1cc(OCCC2CC2)ccc1C#CCO.
What is the InChIKey of 3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol?
The InChIKey is WSRAUXIYOBNEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-12-11-15(17-10-8-13-4-5-13)7-6-14(12)3-2-9-16/h6-7,11,13,16H,4-5,8-10H2,1H3.
What are the key properties of 3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol?
3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 83134949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).