9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol

C17H16Cl2O — CID 23265010

IUPAC9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol
SMILESCC1(C)c2ccccc2-c2ccccc2C1(O)C(Cl)Cl
InChIInChI=1S/C17H16Cl2O/c1-16(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)17(16,20)15(18)19/h3-10,15,20H,1-2H3
InChIKeyHZABQTIEYWWCTO-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.64
Rot. Bonds1

About 9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol

9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol (PubChem CID 23265010) has the molecular formula C17H16Cl2O and a molecular weight of 307.22 g/mol. Its IUPAC name is 9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol.

Molecular Properties

Compound Name9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol
PubChem CID23265010
Molecular FormulaC17H16Cl2O
Molecular Weight307.22 g/mol
Exact Mass306.06
IUPAC Name9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol
SMILESCC1(C)c2ccccc2-c2ccccc2C1(O)C(Cl)Cl
InChIInChI=1S/C17H16Cl2O/c1-16(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)17(16,20)15(18)19/h3-10,15,20H,1-2H3
InChIKeyHZABQTIEYWWCTO-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(dichloromethyl)-1,1,3,3-tetramethylinden-2-ol
CID 71425229
methane;9-methylfluoren-9-ol
CID 160708378
9-(difluoromethyl)-9-methylfluorene
CID 138967571
1,4-dimethylnaphthalene-1,4-diol
CID 14120481
2-(9-hydroxyfluoren-9-yl)propanenitrile
CID 21161844
ethane;9-fluoro-9-methylfluorene
CID 163249751
9-methyl-9-prop-1-en-2-ylfluorene
CID 10911089
1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene]
CID 123782833
(1S,14S,16R,19R)-16,19-dimethyl-15,18-dioxapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16,19-diol
CID 102180606
9-[2-(2-chlorophenyl)phenyl]-10,10-dimethyl-3-phenylanthracen-9-ol
CID 155408909
9-(2-bromo-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-9-methylfluorene
CID 11066754
9-methylfluorene-9-carbonyl chloride
CID 71479590

Frequently Asked Questions

What is the IUPAC name of 9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol?
The IUPAC name of 9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol (CID 23265010) is 9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol.
What is the SMILES notation for 9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol?
The canonical SMILES for 9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol is CC1(C)c2ccccc2-c2ccccc2C1(O)C(Cl)Cl.
What is the InChIKey of 9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol?
The InChIKey is HZABQTIEYWWCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O/c1-16(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)17(16,20)15(18)19/h3-10,15,20H,1-2H3.
What are the key properties of 9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol?
9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol has a molecular weight of 307.22 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dichloromethyl)-10,10-dimethylphenanthren-9-ol is sourced from PubChem (CID 23265010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).