4-(1-pentoxypropan-2-yl)phenol

C14H22O2 — CID 18950152

IUPAC4-(1-pentoxypropan-2-yl)phenol
SMILESCCCCCOCC(C)c1ccc(O)cc1
InChIInChI=1S/C14H22O2/c1-3-4-5-10-16-11-12(2)13-6-8-14(15)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeySMYIXSYCYCTDEH-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.70
Rot. Bonds7

About 4-(1-pentoxypropan-2-yl)phenol

4-(1-pentoxypropan-2-yl)phenol (PubChem CID 18950152) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(1-pentoxypropan-2-yl)phenol.

Molecular Properties

Compound Name4-(1-pentoxypropan-2-yl)phenol
PubChem CID18950152
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-(1-pentoxypropan-2-yl)phenol
SMILESCCCCCOCC(C)c1ccc(O)cc1
InChIInChI=1S/C14H22O2/c1-3-4-5-10-16-11-12(2)13-6-8-14(15)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKeySMYIXSYCYCTDEH-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.70
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

1-octoxypropan-2-ylbenzene
CID 77473849
4-(1-ethoxypropan-2-yl)phenol
CID 91168138
4-[(2R)-1-butoxypropan-2-yl]oxyphenol
CID 14418920
4-hexan-2-ylphenol
CID 12579179
4-(3-butoxy-1,1-difluoropropan-2-yl)phenol
CID 67785021
1-pentoxypropan-2-yl 4-hydroxybenzoate
CID 14512064
4-[2-(4-hexoxyphenyl)propyl]phenol
CID 174617402
4-(hexoxymethyl)phenol
CID 14816980
4-(2-pentoxyethyl)phenol
CID 67806399
1-fluoro-4-(1-propoxypropan-2-yl)benzene
CID 89390426
4-[(4-hydroxyphenyl)-(4-octoxyphenyl)methyl]phenol
CID 139680451
2-(1-butoxypropan-2-yl)naphthalene
CID 91801948

Frequently Asked Questions

What is the IUPAC name of 4-(1-pentoxypropan-2-yl)phenol?
The IUPAC name of 4-(1-pentoxypropan-2-yl)phenol (CID 18950152) is 4-(1-pentoxypropan-2-yl)phenol.
What is the SMILES notation for 4-(1-pentoxypropan-2-yl)phenol?
The canonical SMILES for 4-(1-pentoxypropan-2-yl)phenol is CCCCCOCC(C)c1ccc(O)cc1.
What is the InChIKey of 4-(1-pentoxypropan-2-yl)phenol?
The InChIKey is SMYIXSYCYCTDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-4-5-10-16-11-12(2)13-6-8-14(15)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3.
What are the key properties of 4-(1-pentoxypropan-2-yl)phenol?
4-(1-pentoxypropan-2-yl)phenol has a molecular weight of 222.33 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pentoxypropan-2-yl)phenol is sourced from PubChem (CID 18950152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).