2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol

C28H42O4 — CID 151349887

IUPAC2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol
SMILESCCCCCCCCC(c1ccccc1O)C(OCCC)(OCCC)c1ccccc1O
InChIInChI=1S/C28H42O4/c1-4-7-8-9-10-11-17-24(23-16-12-14-19-26(23)29)28(31-21-5-2,32-22-6-3)25-18-13-15-20-27(25)30/h12-16,18-20,24,29-30H,4-11,17,21-22H2,1-3H3
InChIKeyOMGNSZPFLJWYKS-UHFFFAOYSA-N
MW442.64 g/mol
LogP7.64
Rot. Bonds16

About 2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol

2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol (PubChem CID 151349887) has the molecular formula C28H42O4 and a molecular weight of 442.64 g/mol. Its IUPAC name is 2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol.

Molecular Properties

Compound Name2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol
PubChem CID151349887
Molecular FormulaC28H42O4
Molecular Weight442.64 g/mol
Exact Mass442.31
IUPAC Name2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol
SMILESCCCCCCCCC(c1ccccc1O)C(OCCC)(OCCC)c1ccccc1O
InChIInChI=1S/C28H42O4/c1-4-7-8-9-10-11-17-24(23-16-12-14-19-26(23)29)28(31-21-5-2,32-22-6-3)25-18-13-15-20-27(25)30/h12-16,18-20,24,29-30H,4-11,17,21-22H2,1-3H3
InChIKeyOMGNSZPFLJWYKS-UHFFFAOYSA-N
XLogP7.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.64
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 150274664
2-(1,1-diethoxy-2-ethyldecyl)phenol
CID 151998157
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CID 66865451
2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol
CID 66866746
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene
CID 150761297
2-(9-heptylhenicosan-10-yl)phenol
CID 66867451
2-(1-phenylnonyl)phenol
CID 67177643
2-(10-octyldocosan-11-yl)phenol
CID 66866246
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
formaldehyde;2-tridecan-5-ylphenol
CID 130205554

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol?
The IUPAC name of 2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol (CID 151349887) is 2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol.
What is the SMILES notation for 2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol?
The canonical SMILES for 2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol is CCCCCCCCC(c1ccccc1O)C(OCCC)(OCCC)c1ccccc1O.
What is the InChIKey of 2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol?
The InChIKey is OMGNSZPFLJWYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O4/c1-4-7-8-9-10-11-17-24(23-16-12-14-19-26(23)29)28(31-21-5-2,32-22-6-3)25-18-13-15-20-27(25)30/h12-16,18-20,24,29-30H,4-11,17,21-22H2,1-3H3.
What are the key properties of 2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol?
2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol has a molecular weight of 442.64 g/mol, XLogP of 7.64, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyphenyl)-1,1-dipropoxydecan-2-yl]phenol is sourced from PubChem (CID 151349887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).