(3-chloro-1H-indol-7-yl)methanol

C9H8ClNO — CID 84658243

IUPAC(3-chloro-1H-indol-7-yl)methanol
SMILESOCc1cccc2c(Cl)c[nH]c12
InChIInChI=1S/C9H8ClNO/c10-8-4-11-9-6(5-12)2-1-3-7(8)9/h1-4,11-12H,5H2
InChIKeyZVEIBJWRVAOWAN-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.31
Rot. Bonds1

About (3-chloro-1H-indol-7-yl)methanol

(3-chloro-1H-indol-7-yl)methanol (PubChem CID 84658243) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is (3-chloro-1H-indol-7-yl)methanol.

Molecular Properties

Compound Name(3-chloro-1H-indol-7-yl)methanol
PubChem CID84658243
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name(3-chloro-1H-indol-7-yl)methanol
SMILESOCc1cccc2c(Cl)c[nH]c12
InChIInChI=1S/C9H8ClNO/c10-8-4-11-9-6(5-12)2-1-3-7(8)9/h1-4,11-12H,5H2
InChIKeyZVEIBJWRVAOWAN-UHFFFAOYSA-N
XLogP2.31
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-1H-indol-7-yl)methyl]hydroxylamine
CID 117286523
3-chloro-7-[2-[4-(sulfinatoamino)phenyl]ethyl]-1H-indole
CID 58459669
2-(3-chloro-1H-indol-7-yl)propan-1-amine
CID 117298104
(3-chloro-2-ethylphenyl)methanol
CID 118269686
2-(7-chloro-1H-indol-3-yl)acetamide
CID 10703607
[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine
CID 117411533
9H-carbazol-1-ylmethanol
CID 10987211
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
7-ethyl-3-methyl-1H-indole
CID 13271010
(7-chloro-1H-indol-4-yl)methanol
CID 53399502
1-(3-chloro-1H-indol-7-yl)-3-cyanothiourea
CID 25158428
2-(7-chloro-1H-indol-3-yl)acetonitrile
CID 10559597

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1H-indol-7-yl)methanol?
The IUPAC name of (3-chloro-1H-indol-7-yl)methanol (CID 84658243) is (3-chloro-1H-indol-7-yl)methanol.
What is the SMILES notation for (3-chloro-1H-indol-7-yl)methanol?
The canonical SMILES for (3-chloro-1H-indol-7-yl)methanol is OCc1cccc2c(Cl)c[nH]c12.
What is the InChIKey of (3-chloro-1H-indol-7-yl)methanol?
The InChIKey is ZVEIBJWRVAOWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-8-4-11-9-6(5-12)2-1-3-7(8)9/h1-4,11-12H,5H2.
What are the key properties of (3-chloro-1H-indol-7-yl)methanol?
(3-chloro-1H-indol-7-yl)methanol has a molecular weight of 181.62 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1H-indol-7-yl)methanol is sourced from PubChem (CID 84658243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).