1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol

C21H16O4 — CID 150383298

IUPAC1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol
SMILESCOc1cc(O)c(-c2ccc(O)cc2)c2ccc3cc(O)ccc3c12
InChIInChI=1S/C21H16O4/c1-25-19-11-18(24)20(12-2-5-14(22)6-3-12)17-8-4-13-10-15(23)7-9-16(13)21(17)19/h2-11,22-24H,1H3
InChIKeyHAELLMAOIASOPO-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.79
Rot. Bonds2

About 1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol

1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol (PubChem CID 150383298) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol
PubChem CID150383298
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol
SMILESCOc1cc(O)c(-c2ccc(O)cc2)c2ccc3cc(O)ccc3c12
InChIInChI=1S/C21H16O4/c1-25-19-11-18(24)20(12-2-5-14(22)6-3-12)17-8-4-13-10-15(23)7-9-16(13)21(17)19/h2-11,22-24H,1H3
InChIKeyHAELLMAOIASOPO-UHFFFAOYSA-N
XLogP4.79
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol
CID 86198082
5,6,7-trimethoxyphenanthren-2-ol
CID 11997529
1-(2-hydroxy-6-propan-2-yloxynaphthalen-1-yl)-4-methoxy-7-propan-2-yloxyphenanthren-2-ol
CID 177471774
6-(4-hydroxy-2-methoxyphenyl)naphthalen-2-ol
CID 10125342
2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol
CID 53262748
4-methoxyphenanthren-2-ol
CID 139248183
5-methoxy-7-methylnaphthalen-2-ol
CID 10655221
6-amino-5-methoxynaphthalen-2-ol
CID 115017706
1,3,6,8-tetrakis(4-methoxyphenyl)pyrene-2,7-diol
CID 163210794
5-(4-methoxyphenyl)naphthalen-2-ol
CID 142144023
7-amino-5-methoxynaphthalen-2-ol
CID 105443487
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol?
The IUPAC name of 1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol (CID 150383298) is 1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol.
What is the SMILES notation for 1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol?
The canonical SMILES for 1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol is COc1cc(O)c(-c2ccc(O)cc2)c2ccc3cc(O)ccc3c12.
What is the InChIKey of 1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol?
The InChIKey is HAELLMAOIASOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c1-25-19-11-18(24)20(12-2-5-14(22)6-3-12)17-8-4-13-10-15(23)7-9-16(13)21(17)19/h2-11,22-24H,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol?
1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol has a molecular weight of 332.36 g/mol, XLogP of 4.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol is sourced from PubChem (CID 150383298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).