1-chloro-9-methoxyphenanthrene

C15H11ClO — CID 174558891

IUPAC1-chloro-9-methoxyphenanthrene
SMILESCOc1cc2c(Cl)cccc2c2ccccc12
InChIInChI=1S/C15H11ClO/c1-17-15-9-13-11(7-4-8-14(13)16)10-5-2-3-6-12(10)15/h2-9H,1H3
InChIKeyJTSVQNIUXBPHLW-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.66
Rot. Bonds1

About 1-chloro-9-methoxyphenanthrene

1-chloro-9-methoxyphenanthrene (PubChem CID 174558891) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-chloro-9-methoxyphenanthrene.

Molecular Properties

Compound Name1-chloro-9-methoxyphenanthrene
PubChem CID174558891
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name1-chloro-9-methoxyphenanthrene
SMILESCOc1cc2c(Cl)cccc2c2ccccc12
InChIInChI=1S/C15H11ClO/c1-17-15-9-13-11(7-4-8-14(13)16)10-5-2-3-6-12(10)15/h2-9H,1H3
InChIKeyJTSVQNIUXBPHLW-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-methoxynaphthalene
CID 606038
8-chloro-4-methoxyisoquinoline
CID 119083807
6-methoxychrysene
CID 12935769
1-chloro-2-methoxybenzene
CID 13011
(5-chloro-2-methoxynaphthalen-1-yl)boronic acid
CID 168880110
CID 57455647
CID 57455647
1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid
CID 165354130
5-chloro-7,8-dimethoxynaphthalen-1-ol
CID 86132607
2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene
CID 165356371
2,4-dimethoxynaphthalen-1-ol
CID 12563547
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
(2-chloro-6-methoxyphenoxy)boronic acid
CID 142775747

Frequently Asked Questions

What is the IUPAC name of 1-chloro-9-methoxyphenanthrene?
The IUPAC name of 1-chloro-9-methoxyphenanthrene (CID 174558891) is 1-chloro-9-methoxyphenanthrene.
What is the SMILES notation for 1-chloro-9-methoxyphenanthrene?
The canonical SMILES for 1-chloro-9-methoxyphenanthrene is COc1cc2c(Cl)cccc2c2ccccc12.
What is the InChIKey of 1-chloro-9-methoxyphenanthrene?
The InChIKey is JTSVQNIUXBPHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO/c1-17-15-9-13-11(7-4-8-14(13)16)10-5-2-3-6-12(10)15/h2-9H,1H3.
What are the key properties of 1-chloro-9-methoxyphenanthrene?
1-chloro-9-methoxyphenanthrene has a molecular weight of 242.71 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-9-methoxyphenanthrene is sourced from PubChem (CID 174558891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).