4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol

C26H18O2 — CID 90294470

IUPAC4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol
SMILESOc1ccc(-c2ccc3c(ccc4cc(-c5ccc(O)cc5)ccc43)c2)cc1
InChIInChI=1S/C26H18O2/c27-23-9-3-17(4-10-23)19-7-13-25-21(15-19)1-2-22-16-20(8-14-26(22)25)18-5-11-24(28)12-6-18/h1-16,27-28H
InChIKeyPCSVLCFTOAWKES-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.74
Rot. Bonds2

About 4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol

4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol (PubChem CID 90294470) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol.

Molecular Properties

Compound Name4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol
PubChem CID90294470
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol
SMILESOc1ccc(-c2ccc3c(ccc4cc(-c5ccc(O)cc5)ccc43)c2)cc1
InChIInChI=1S/C26H18O2/c27-23-9-3-17(4-10-23)19-7-13-25-21(15-19)1-2-22-16-20(8-14-26(22)25)18-5-11-24(28)12-6-18/h1-16,27-28H
InChIKeyPCSVLCFTOAWKES-UHFFFAOYSA-N
XLogP6.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(4-hydroxyphenyl)naphthalen-1-ol
CID 10308021
heptadecacyclo[59.3.1.12,6.113,17.118,22.129,33.134,38.145,49.150,54.05,10.09,14.021,26.025,30.037,42.041,46.053,58.057,62]doheptaconta-1(65),2(72),3,5,7,9,11,13,15,17(71),18(70),19,21,23,25,27,29,31,33(69),34(68),35,37,39,41,43,45,47,49(67),50(66),51,53,55,57,59,61,63-hexatriacontaene
CID 164669270
6-(4-hydroxyphenyl)naphthalen-2-ol;methane
CID 69476314
1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol
CID 160998401
4-(6-aminonaphthalen-2-yl)phenol
CID 59449860
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol
CID 176584463
CID 59629186
CID 59629186
6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol
CID 153453254
3-phenylbenzo[a]anthracene
CID 59412661
5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
CID 11514345

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol?
The IUPAC name of 4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol (CID 90294470) is 4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol.
What is the SMILES notation for 4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol?
The canonical SMILES for 4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol is Oc1ccc(-c2ccc3c(ccc4cc(-c5ccc(O)cc5)ccc43)c2)cc1.
What is the InChIKey of 4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol?
The InChIKey is PCSVLCFTOAWKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c27-23-9-3-17(4-10-23)19-7-13-25-21(15-19)1-2-22-16-20(8-14-26(22)25)18-5-11-24(28)12-6-18/h1-16,27-28H.
What are the key properties of 4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol?
4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol has a molecular weight of 362.43 g/mol, XLogP of 6.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol is sourced from PubChem (CID 90294470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).