5-(4-heptoxyphenyl)-3-methylpentan-2-ol

C19H32O2 — CID 143147990

IUPAC5-(4-heptoxyphenyl)-3-methylpentan-2-ol
SMILESCCCCCCCOc1ccc(CCC(C)C(C)O)cc1
InChIInChI=1S/C19H32O2/c1-4-5-6-7-8-15-21-19-13-11-18(12-14-19)10-9-16(2)17(3)20/h11-14,16-17,20H,4-10,15H2,1-3H3
InChIKeyYHOMFBKYRHJALP-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.99
Rot. Bonds11

About 5-(4-heptoxyphenyl)-3-methylpentan-2-ol

5-(4-heptoxyphenyl)-3-methylpentan-2-ol (PubChem CID 143147990) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 5-(4-heptoxyphenyl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name5-(4-heptoxyphenyl)-3-methylpentan-2-ol
PubChem CID143147990
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name5-(4-heptoxyphenyl)-3-methylpentan-2-ol
SMILESCCCCCCCOc1ccc(CCC(C)C(C)O)cc1
InChIInChI=1S/C19H32O2/c1-4-5-6-7-8-15-21-19-13-11-18(12-14-19)10-9-16(2)17(3)20/h11-14,16-17,20H,4-10,15H2,1-3H3
InChIKeyYHOMFBKYRHJALP-UHFFFAOYSA-N
XLogP4.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.99
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

4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
CID 18927874
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid
CID 22618800
4-amino-1-(4-hexoxyphenyl)heptan-3-ol
CID 83932758
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
1-(5-bromohexoxy)-4-hexylbenzene
CID 91231401
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol
CID 82184926
ditert-butyl [(2R)-5-(4-heptoxyphenyl)-3-methylpentan-2-yl] phosphate
CID 90960881
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of 5-(4-heptoxyphenyl)-3-methylpentan-2-ol?
The IUPAC name of 5-(4-heptoxyphenyl)-3-methylpentan-2-ol (CID 143147990) is 5-(4-heptoxyphenyl)-3-methylpentan-2-ol.
What is the SMILES notation for 5-(4-heptoxyphenyl)-3-methylpentan-2-ol?
The canonical SMILES for 5-(4-heptoxyphenyl)-3-methylpentan-2-ol is CCCCCCCOc1ccc(CCC(C)C(C)O)cc1.
What is the InChIKey of 5-(4-heptoxyphenyl)-3-methylpentan-2-ol?
The InChIKey is YHOMFBKYRHJALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-4-5-6-7-8-15-21-19-13-11-18(12-14-19)10-9-16(2)17(3)20/h11-14,16-17,20H,4-10,15H2,1-3H3.
What are the key properties of 5-(4-heptoxyphenyl)-3-methylpentan-2-ol?
5-(4-heptoxyphenyl)-3-methylpentan-2-ol has a molecular weight of 292.46 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-heptoxyphenyl)-3-methylpentan-2-ol is sourced from PubChem (CID 143147990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).