2-chloro-6-methoxyphenanthren-9-ol

C15H11ClO2 — CID 14174933

IUPAC2-chloro-6-methoxyphenanthren-9-ol
SMILESCOc1ccc2c(O)cc3cc(Cl)ccc3c2c1
InChIInChI=1S/C15H11ClO2/c1-18-11-3-5-13-14(8-11)12-4-2-10(16)6-9(12)7-15(13)17/h2-8,17H,1H3
InChIKeyBDVNIDHQBCPTLC-UHFFFAOYSA-N
MW258.70 g/mol
LogP4.36
Rot. Bonds1

About 2-chloro-6-methoxyphenanthren-9-ol

2-chloro-6-methoxyphenanthren-9-ol (PubChem CID 14174933) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-chloro-6-methoxyphenanthren-9-ol.

Molecular Properties

Compound Name2-chloro-6-methoxyphenanthren-9-ol
PubChem CID14174933
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name2-chloro-6-methoxyphenanthren-9-ol
SMILESCOc1ccc2c(O)cc3cc(Cl)ccc3c2c1
InChIInChI=1S/C15H11ClO2/c1-18-11-3-5-13-14(8-11)12-4-2-10(16)6-9(12)7-15(13)17/h2-8,17H,1H3
InChIKeyBDVNIDHQBCPTLC-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxyphenanthren-9-ol?
The IUPAC name of 2-chloro-6-methoxyphenanthren-9-ol (CID 14174933) is 2-chloro-6-methoxyphenanthren-9-ol.
What is the SMILES notation for 2-chloro-6-methoxyphenanthren-9-ol?
The canonical SMILES for 2-chloro-6-methoxyphenanthren-9-ol is COc1ccc2c(O)cc3cc(Cl)ccc3c2c1.
What is the InChIKey of 2-chloro-6-methoxyphenanthren-9-ol?
The InChIKey is BDVNIDHQBCPTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c1-18-11-3-5-13-14(8-11)12-4-2-10(16)6-9(12)7-15(13)17/h2-8,17H,1H3.
What are the key properties of 2-chloro-6-methoxyphenanthren-9-ol?
2-chloro-6-methoxyphenanthren-9-ol has a molecular weight of 258.70 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxyphenanthren-9-ol is sourced from PubChem (CID 14174933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).