5-[4-(3-methylphenoxy)phenyl]pentan-1-ol

C18H22O2 — CID 139655740

IUPAC5-[4-(3-methylphenoxy)phenyl]pentan-1-ol
SMILESCc1cccc(Oc2ccc(CCCCCO)cc2)c1
InChIInChI=1S/C18H22O2/c1-15-6-5-8-18(14-15)20-17-11-9-16(10-12-17)7-3-2-4-13-19/h5-6,8-12,14,19H,2-4,7,13H2,1H3
InChIKeyYAFXDUYHAXRFJZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.49
Rot. Bonds7

About 5-[4-(3-methylphenoxy)phenyl]pentan-1-ol

5-[4-(3-methylphenoxy)phenyl]pentan-1-ol (PubChem CID 139655740) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-[4-(3-methylphenoxy)phenyl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(3-methylphenoxy)phenyl]pentan-1-ol
PubChem CID139655740
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name5-[4-(3-methylphenoxy)phenyl]pentan-1-ol
SMILESCc1cccc(Oc2ccc(CCCCCO)cc2)c1
InChIInChI=1S/C18H22O2/c1-15-6-5-8-18(14-15)20-17-11-9-16(10-12-17)7-3-2-4-13-19/h5-6,8-12,14,19H,2-4,7,13H2,1H3
InChIKeyYAFXDUYHAXRFJZ-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.49
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-[4-(3-ethylphenoxy)phenyl]pentan-1-ol
CID 139655848
ethyl 5-[4-(3-methylphenoxy)phenyl]pentanoate
CID 139655795
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
4-(4-methylphenyl)butan-1-ol;toluene
CID 70134596
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine
CID 54233286
1-pentyl-3-(4-propylphenoxy)benzene
CID 58062247
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate
CID 67952576
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylphenoxy)phenyl]pentan-1-ol?
The IUPAC name of 5-[4-(3-methylphenoxy)phenyl]pentan-1-ol (CID 139655740) is 5-[4-(3-methylphenoxy)phenyl]pentan-1-ol.
What is the SMILES notation for 5-[4-(3-methylphenoxy)phenyl]pentan-1-ol?
The canonical SMILES for 5-[4-(3-methylphenoxy)phenyl]pentan-1-ol is Cc1cccc(Oc2ccc(CCCCCO)cc2)c1.
What is the InChIKey of 5-[4-(3-methylphenoxy)phenyl]pentan-1-ol?
The InChIKey is YAFXDUYHAXRFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-15-6-5-8-18(14-15)20-17-11-9-16(10-12-17)7-3-2-4-13-19/h5-6,8-12,14,19H,2-4,7,13H2,1H3.
What are the key properties of 5-[4-(3-methylphenoxy)phenyl]pentan-1-ol?
5-[4-(3-methylphenoxy)phenyl]pentan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylphenoxy)phenyl]pentan-1-ol is sourced from PubChem (CID 139655740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).