3-chloro-2-propylphenol

C9H11ClO — CID 15747295

IUPAC3-chloro-2-propylphenol
SMILESCCCc1c(O)cccc1Cl
InChIInChI=1S/C9H11ClO/c1-2-4-7-8(10)5-3-6-9(7)11/h3,5-6,11H,2,4H2,1H3
InChIKeyBBRQWWFIBYHQTA-UHFFFAOYSA-N
MW170.64 g/mol
LogP3.00
Rot. Bonds2

About 3-chloro-2-propylphenol

3-chloro-2-propylphenol (PubChem CID 15747295) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 3-chloro-2-propylphenol.

Molecular Properties

Compound Name3-chloro-2-propylphenol
PubChem CID15747295
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name3-chloro-2-propylphenol
SMILESCCCc1c(O)cccc1Cl
InChIInChI=1S/C9H11ClO/c1-2-4-7-8(10)5-3-6-9(7)11/h3,5-6,11H,2,4H2,1H3
InChIKeyBBRQWWFIBYHQTA-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-chloro-2-octylphenol;2-chlorophenol
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3-chloro-2-[(2-propylanilino)methyl]phenol
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3-methoxy-2-propylphenol
CID 10607156
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CID 67382439
3-chloro-2-[(4-pentylanilino)methyl]phenol
CID 114317906
3-chloro-2-[[ethyl(propan-2-yl)amino]methyl]phenol
CID 82977526
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CID 63471801
5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane
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3-chloro-2-[(2-ethylbutylamino)methyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propylphenol?
The IUPAC name of 3-chloro-2-propylphenol (CID 15747295) is 3-chloro-2-propylphenol.
What is the SMILES notation for 3-chloro-2-propylphenol?
The canonical SMILES for 3-chloro-2-propylphenol is CCCc1c(O)cccc1Cl.
What is the InChIKey of 3-chloro-2-propylphenol?
The InChIKey is BBRQWWFIBYHQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-2-4-7-8(10)5-3-6-9(7)11/h3,5-6,11H,2,4H2,1H3.
What are the key properties of 3-chloro-2-propylphenol?
3-chloro-2-propylphenol has a molecular weight of 170.64 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propylphenol is sourced from PubChem (CID 15747295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).