5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol

C15H24O2 — CID 66058434

IUPAC5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol
SMILESCCOCCCC(CO)Cc1cccc(C)c1
InChIInChI=1S/C15H24O2/c1-3-17-9-5-8-15(12-16)11-14-7-4-6-13(2)10-14/h4,6-7,10,15-16H,3,5,8-9,11-12H2,1-2H3
InChIKeyBMOFQMFHUKVMAM-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.96
Rot. Bonds8

About 5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol

5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol (PubChem CID 66058434) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol.

Molecular Properties

Compound Name5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol
PubChem CID66058434
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol
SMILESCCOCCCC(CO)Cc1cccc(C)c1
InChIInChI=1S/C15H24O2/c1-3-17-9-5-8-15(12-16)11-14-7-4-6-13(2)10-14/h4,6-7,10,15-16H,3,5,8-9,11-12H2,1-2H3
InChIKeyBMOFQMFHUKVMAM-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-2-[(3-methylphenyl)methyl]pentanoic acid
CID 65180769
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
1-[2-(bromomethyl)-4-ethoxybutyl]-3-methylbenzene
CID 66041509
2-[(3-bromophenyl)methyl]-4-ethoxybutan-1-ol
CID 66058870
4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62514359
4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-ol
CID 66060565
1-(2-butylheptyl)-3-methylbenzene
CID 91430281
1-[2-(chloromethyl)-5-ethoxypentyl]-3-fluorobenzene
CID 66049005
2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 66058858
2-benzyl-5-ethoxypentan-1-amine
CID 65180415
2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66058853
5-ethoxy-2-(2-ethoxyethyl)pentan-1-ol
CID 121218996

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol?
The IUPAC name of 5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol (CID 66058434) is 5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol.
What is the SMILES notation for 5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol?
The canonical SMILES for 5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol is CCOCCCC(CO)Cc1cccc(C)c1.
What is the InChIKey of 5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol?
The InChIKey is BMOFQMFHUKVMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-17-9-5-8-15(12-16)11-14-7-4-6-13(2)10-14/h4,6-7,10,15-16H,3,5,8-9,11-12H2,1-2H3.
What are the key properties of 5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol?
5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(3-methylphenyl)methyl]pentan-1-ol is sourced from PubChem (CID 66058434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).