phenanthrene-2,4-diol

C14H10O2 — CID 640647

IUPACphenanthrene-2,4-diol
SMILESOc1cc(O)c2c(ccc3ccccc32)c1
InChIInChI=1S/C14H10O2/c15-11-7-10-6-5-9-3-1-2-4-12(9)14(10)13(16)8-11/h1-8,15-16H
InChIKeyCUGIOLWKSJZSDU-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.40
Rot. Bonds

About phenanthrene-2,4-diol

phenanthrene-2,4-diol (PubChem CID 640647) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is phenanthrene-2,4-diol.

Molecular Properties

Compound Namephenanthrene-2,4-diol
PubChem CID640647
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Namephenanthrene-2,4-diol
SMILESOc1cc(O)c2c(ccc3ccccc32)c1
InChIInChI=1S/C14H10O2/c15-11-7-10-6-5-9-3-1-2-4-12(9)14(10)13(16)8-11/h1-8,15-16H
InChIKeyCUGIOLWKSJZSDU-UHFFFAOYSA-N
XLogP3.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.40
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

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bis(naphthalene-2,7-diol);naphthalen-1-ol
CID 174973186
hexahelicen-1-ol
CID 102137730
5-benzo[c]carbazol-7-ylbenzene-1,3-diol
CID 164835898
phenanthren-3-ol
CID 73057263
2,4-dihydroxyphenanthrene-3-carbaldehyde
CID 102282696
naphthalene-1,4-diol;naphthalene-2,6-diol
CID 67516588
phenanthrene-2,3-diol
CID 23048019
hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21,23,25-tridecaen-19-ol
CID 126662128
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
heptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,32,34-octadecaene
CID 59760658
pyrene-4,9-diol
CID 15270756

Frequently Asked Questions

What is the IUPAC name of phenanthrene-2,4-diol?
The IUPAC name of phenanthrene-2,4-diol (CID 640647) is phenanthrene-2,4-diol.
What is the SMILES notation for phenanthrene-2,4-diol?
The canonical SMILES for phenanthrene-2,4-diol is Oc1cc(O)c2c(ccc3ccccc32)c1.
What is the InChIKey of phenanthrene-2,4-diol?
The InChIKey is CUGIOLWKSJZSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-11-7-10-6-5-9-3-1-2-4-12(9)14(10)13(16)8-11/h1-8,15-16H.
What are the key properties of phenanthrene-2,4-diol?
phenanthrene-2,4-diol has a molecular weight of 210.23 g/mol, XLogP of 3.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene-2,4-diol is sourced from PubChem (CID 640647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).