1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol

C19H24O4 — CID 18791858

IUPAC1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol
SMILESCCC(c1ccc(OC(C)O)cc1)c1ccc(OC(C)O)cc1
InChIInChI=1S/C19H24O4/c1-4-19(15-5-9-17(10-6-15)22-13(2)20)16-7-11-18(12-8-16)23-14(3)21/h5-14,19-21H,4H2,1-3H3
InChIKeyBFHCXRAQZRCKDA-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.66
Rot. Bonds7

About 1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol

1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol (PubChem CID 18791858) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol.

Molecular Properties

Compound Name1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol
PubChem CID18791858
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol
SMILESCCC(c1ccc(OC(C)O)cc1)c1ccc(OC(C)O)cc1
InChIInChI=1S/C19H24O4/c1-4-19(15-5-9-17(10-6-15)22-13(2)20)16-7-11-18(12-8-16)23-14(3)21/h5-14,19-21H,4H2,1-3H3
InChIKeyBFHCXRAQZRCKDA-UHFFFAOYSA-N
XLogP3.66
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethoxymethyl)phenoxy]ethanol
CID 18551503
1-phenoxyethanol
CID 66611531
4-[4-[1-[4-(3-oxopent-4-en-2-yloxy)phenyl]propyl]phenoxy]pent-1-en-3-one
CID 91222052
1-(4-butan-2-ylsulfanylphenoxy)ethanol
CID 70445939
1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
CID 174900127
1-phenoxyethanol;trihydrate
CID 175915128
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol
CID 71095161
1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
CID 161419834
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
2-[4-(1-hydroxyethyl)phenoxy]butanoic acid
CID 64661160
1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol
CID 65150516
chloroform;1-phenoxyethanol
CID 160851082

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol?
The IUPAC name of 1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol (CID 18791858) is 1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol.
What is the SMILES notation for 1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol?
The canonical SMILES for 1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol is CCC(c1ccc(OC(C)O)cc1)c1ccc(OC(C)O)cc1.
What is the InChIKey of 1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol?
The InChIKey is BFHCXRAQZRCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-4-19(15-5-9-17(10-6-15)22-13(2)20)16-7-11-18(12-8-16)23-14(3)21/h5-14,19-21H,4H2,1-3H3.
What are the key properties of 1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol?
1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol has a molecular weight of 316.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol is sourced from PubChem (CID 18791858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).