1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol

C15H18O2 — CID 45098115

IUPAC1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol
SMILESCc1ccc(OCC#CC2(O)CCCC2)cc1
InChIInChI=1S/C15H18O2/c1-13-5-7-14(8-6-13)17-12-4-11-15(16)9-2-3-10-15/h5-8,16H,2-3,9-10,12H2,1H3
InChIKeyPZOGKZXTWIUNSY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.68
Rot. Bonds2

About 1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol

1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol (PubChem CID 45098115) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol
PubChem CID45098115
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol
SMILESCc1ccc(OCC#CC2(O)CCCC2)cc1
InChIInChI=1S/C15H18O2/c1-13-5-7-14(8-6-13)17-12-4-11-15(16)9-2-3-10-15/h5-8,16H,2-3,9-10,12H2,1H3
InChIKeyPZOGKZXTWIUNSY-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.68
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-methylphenoxy)prop-1-yn-1-ol
CID 145466802
1-(4-iodobut-2-ynoxy)-4-methylbenzene
CID 19849495
1-methyl-4-(3-methylsulfanylprop-2-ynoxy)benzene
CID 42638165
2,2-dimethyl-4-(3-phenoxyprop-1-ynyl)oxan-4-ol
CID 15882830
N-[3-(1-hydroxycyclobutyl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide
CID 102327104
1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol
CID 134884657
1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene
CID 65001597
2-[10-(4-methylphenoxy)deca-2,5,8-triynoxy]oxane
CID 19849488
1-[6-[4-[bis(4-tert-butylphenyl)-(4-methylphenyl)methyl]phenoxy]hexa-2,4-diynoxy]-4-[tris(4-tert-butylphenyl)methyl]benzene
CID 157373203
1-[2-(2,4-dimethylphenyl)ethynyl]cyclopentan-1-ol
CID 130055948
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485
1-[2-(4-ethylphenyl)ethynyl]cyclopentan-1-ol
CID 130055746

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol?
The IUPAC name of 1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol (CID 45098115) is 1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol?
The canonical SMILES for 1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol is Cc1ccc(OCC#CC2(O)CCCC2)cc1.
What is the InChIKey of 1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol?
The InChIKey is PZOGKZXTWIUNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-13-5-7-14(8-6-13)17-12-4-11-15(16)9-2-3-10-15/h5-8,16H,2-3,9-10,12H2,1H3.
What are the key properties of 1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol?
1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol is sourced from PubChem (CID 45098115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).