butan-1-ol;chlorobenzene;hydrate

C10H17ClO2 — CID 174932999

IUPACbutan-1-ol;chlorobenzene;hydrate
SMILESCCCCO.Clc1ccccc1.O
InChIInChI=1S/C6H5Cl.C4H10O.H2O/c7-6-4-2-1-3-5-6;1-2-3-4-5;/h1-5H;5H,2-4H2,1H3;1H2
InChIKeyDQCTXDWIXBQLGP-UHFFFAOYSA-N
MW204.70 g/mol
LogP2.29
Rot. Bonds2

About butan-1-ol;chlorobenzene;hydrate

butan-1-ol;chlorobenzene;hydrate (PubChem CID 174932999) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is butan-1-ol;chlorobenzene;hydrate.

Molecular Properties

Compound Namebutan-1-ol;chlorobenzene;hydrate
PubChem CID174932999
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Namebutan-1-ol;chlorobenzene;hydrate
SMILESCCCCO.Clc1ccccc1.O
InChIInChI=1S/C6H5Cl.C4H10O.H2O/c7-6-4-2-1-3-5-6;1-2-3-4-5;/h1-5H;5H,2-4H2,1H3;1H2
InChIKeyDQCTXDWIXBQLGP-UHFFFAOYSA-N
XLogP2.29
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze butan-1-ol;chlorobenzene;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;butan-1-ol;toluene
CID 163426889
chlorobenzene;chloroethane;hydrate
CID 174263890
butan-1-ol;phenol;titanium
CID 22238727
benzenesulfonic acid;butan-1-ol
CID 174774031
chlorobenzene;pentanoyl chloride
CID 174976374
chlorobenzene;methanol
CID 20549646
benzene-1,2-diamine;butan-1-ol;dihydrochloride
CID 174374290
4-(butylamino)butan-1-ol;1,2-dichlorobenzene
CID 166462109
chlorobenzene;undecane-5,5-diol
CID 159903559
butan-1-ol;indene-1,2,3-trione;hydrate
CID 158297182
(1,2,3,4-13C4)butan-1-ol
CID 71309697
benzene;chlorobenzene
CID 159657667

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;chlorobenzene;hydrate?
The IUPAC name of butan-1-ol;chlorobenzene;hydrate (CID 174932999) is butan-1-ol;chlorobenzene;hydrate.
What is the SMILES notation for butan-1-ol;chlorobenzene;hydrate?
The canonical SMILES for butan-1-ol;chlorobenzene;hydrate is CCCCO.Clc1ccccc1.O.
What is the InChIKey of butan-1-ol;chlorobenzene;hydrate?
The InChIKey is DQCTXDWIXBQLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C4H10O.H2O/c7-6-4-2-1-3-5-6;1-2-3-4-5;/h1-5H;5H,2-4H2,1H3;1H2.
What are the key properties of butan-1-ol;chlorobenzene;hydrate?
butan-1-ol;chlorobenzene;hydrate has a molecular weight of 204.70 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;chlorobenzene;hydrate is sourced from PubChem (CID 174932999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).