1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol

C16H21ClO — CID 55224817

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol
SMILESOC(Cc1cccc(Cl)c1)CC1CC2CCC1C2
InChIInChI=1S/C16H21ClO/c17-15-3-1-2-11(8-15)9-16(18)10-14-7-12-4-5-13(14)6-12/h1-3,8,12-14,16,18H,4-7,9-10H2
InChIKeyFBBUXFRRBFTWNJ-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol (PubChem CID 55224817) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol
PubChem CID55224817
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol
SMILESOC(Cc1cccc(Cl)c1)CC1CC2CCC1C2
InChIInChI=1S/C16H21ClO/c17-15-3-1-2-11(8-15)9-16(18)10-14-7-12-4-5-13(14)6-12/h1-3,8,12-14,16,18H,4-7,9-10H2
InChIKeyFBBUXFRRBFTWNJ-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine
CID 55223192
1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol
CID 63519467
1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol
CID 105076726
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 79558031
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63527803
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 115821259
2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene
CID 63519319
2-[2-bromo-2-(2,5-dichlorophenyl)ethyl]bicyclo[2.2.1]heptane
CID 63444757
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dichlorophenyl)ethanamine
CID 43167287
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 115831957
1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-ol
CID 79558645

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol (CID 55224817) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol is OC(Cc1cccc(Cl)c1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol?
The InChIKey is FBBUXFRRBFTWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c17-15-3-1-2-11(8-15)9-16(18)10-14-7-12-4-5-13(14)6-12/h1-3,8,12-14,16,18H,4-7,9-10H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol has a molecular weight of 264.80 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol is sourced from PubChem (CID 55224817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).