1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol

C16H21ClO — CID 67265753

IUPAC1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol
SMILESCC(O)C1CCCC2CCc3cc(Cl)ccc3C21
InChIInChI=1S/C16H21ClO/c1-10(18)14-4-2-3-11-5-6-12-9-13(17)7-8-15(12)16(11)14/h7-11,14,16,18H,2-6H2,1H3
InChIKeyUGJRGVYLZAHOKN-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.17
Rot. Bonds1

About 1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol

1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol (PubChem CID 67265753) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol.

Molecular Properties

Compound Name1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol
PubChem CID67265753
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol
SMILESCC(O)C1CCCC2CCc3cc(Cl)ccc3C21
InChIInChI=1S/C16H21ClO/c1-10(18)14-4-2-3-11-5-6-12-9-13(17)7-8-15(12)16(11)14/h7-11,14,16,18H,2-6H2,1H3
InChIKeyUGJRGVYLZAHOKN-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol?
The IUPAC name of 1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol (CID 67265753) is 1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol.
What is the SMILES notation for 1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol?
The canonical SMILES for 1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol is CC(O)C1CCCC2CCc3cc(Cl)ccc3C21.
What is the InChIKey of 1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol?
The InChIKey is UGJRGVYLZAHOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c1-10(18)14-4-2-3-11-5-6-12-9-13(17)7-8-15(12)16(11)14/h7-11,14,16,18H,2-6H2,1H3.
What are the key properties of 1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol?
1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol has a molecular weight of 264.80 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-yl)ethanol is sourced from PubChem (CID 67265753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).