2-chlorooctadecan-1-ol

C18H37ClO — CID 14984660

IUPAC2-chlorooctadecan-1-ol
SMILESCCCCCCCCCCCCCCCCC(Cl)CO
InChIInChI=1S/C18H37ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h18,20H,2-17H2,1H3
InChIKeyNRRNPONAAAPQER-UHFFFAOYSA-N
MW304.95 g/mol
LogP6.46
Rot. Bonds16

About 2-chlorooctadecan-1-ol

2-chlorooctadecan-1-ol (PubChem CID 14984660) has the molecular formula C18H37ClO and a molecular weight of 304.95 g/mol. Its IUPAC name is 2-chlorooctadecan-1-ol.

Molecular Properties

Compound Name2-chlorooctadecan-1-ol
PubChem CID14984660
Molecular FormulaC18H37ClO
Molecular Weight304.95 g/mol
Exact Mass304.25
IUPAC Name2-chlorooctadecan-1-ol
SMILESCCCCCCCCCCCCCCCCC(Cl)CO
InChIInChI=1S/C18H37ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h18,20H,2-17H2,1H3
InChIKeyNRRNPONAAAPQER-UHFFFAOYSA-N
XLogP6.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.95
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

17-chlorotritriacontane
CID 87852962
3-chlorohenicosane
CID 87067964
4-chloropentadecane
CID 63459834
3-chlorohexadecane
CID 63459281
4-chlorotridecane
CID 63460920
12-chlorooctacosane;N-methylmethanamine
CID 122611467
(2S)-1,2-dichlorododecane
CID 98052710
9-chlorohexacosane;N-methylmethanamine
CID 122613288
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463

Frequently Asked Questions

What is the IUPAC name of 2-chlorooctadecan-1-ol?
The IUPAC name of 2-chlorooctadecan-1-ol (CID 14984660) is 2-chlorooctadecan-1-ol.
What is the SMILES notation for 2-chlorooctadecan-1-ol?
The canonical SMILES for 2-chlorooctadecan-1-ol is CCCCCCCCCCCCCCCCC(Cl)CO.
What is the InChIKey of 2-chlorooctadecan-1-ol?
The InChIKey is NRRNPONAAAPQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h18,20H,2-17H2,1H3.
What are the key properties of 2-chlorooctadecan-1-ol?
2-chlorooctadecan-1-ol has a molecular weight of 304.95 g/mol, XLogP of 6.46, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorooctadecan-1-ol is sourced from PubChem (CID 14984660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).