(4-butylphenyl)-(3-iodophenyl)methanol

C17H19IO — CID 63426658

IUPAC(4-butylphenyl)-(3-iodophenyl)methanol
SMILESCCCCc1ccc(C(O)c2cccc(I)c2)cc1
InChIInChI=1S/C17H19IO/c1-2-3-5-13-8-10-14(11-9-13)17(19)15-6-4-7-16(18)12-15/h4,6-12,17,19H,2-3,5H2,1H3
InChIKeyAGOSJBJZKYHRPD-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.72
Rot. Bonds5

About (4-butylphenyl)-(3-iodophenyl)methanol

(4-butylphenyl)-(3-iodophenyl)methanol (PubChem CID 63426658) has the molecular formula C17H19IO and a molecular weight of 366.24 g/mol. Its IUPAC name is (4-butylphenyl)-(3-iodophenyl)methanol.

Molecular Properties

Compound Name(4-butylphenyl)-(3-iodophenyl)methanol
PubChem CID63426658
Molecular FormulaC17H19IO
Molecular Weight366.24 g/mol
Exact Mass366.05
IUPAC Name(4-butylphenyl)-(3-iodophenyl)methanol
SMILESCCCCc1ccc(C(O)c2cccc(I)c2)cc1
InChIInChI=1S/C17H19IO/c1-2-3-5-13-8-10-14(11-9-13)17(19)15-6-4-7-16(18)12-15/h4,6-12,17,19H,2-3,5H2,1H3
InChIKeyAGOSJBJZKYHRPD-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(4-tridecylphenyl)methanol
CID 139673626
(3-bromo-4-methylphenyl)-(4-butylphenyl)methanol
CID 81476235
(4-fluorophenyl)-(3-iodophenyl)methanol
CID 61099687
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
(3-methoxyphenyl)-(4-propylphenyl)methanol
CID 61087387
(4-butylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324875
1-butyl-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63431815
(3-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 62919489
(3-propoxyphenyl)-(4-propylphenyl)methanol
CID 62919013
1-[bromo-(4-butylphenyl)methyl]-4-iodobenzene
CID 63439744
6-[3-[hydroxy-(4-pentylphenyl)methyl]phenyl]-2-methylhex-5-enoic acid
CID 67713252
(3-fluoro-4-methylphenyl)-(3-iodophenyl)methanol
CID 107130674

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(3-iodophenyl)methanol?
The IUPAC name of (4-butylphenyl)-(3-iodophenyl)methanol (CID 63426658) is (4-butylphenyl)-(3-iodophenyl)methanol.
What is the SMILES notation for (4-butylphenyl)-(3-iodophenyl)methanol?
The canonical SMILES for (4-butylphenyl)-(3-iodophenyl)methanol is CCCCc1ccc(C(O)c2cccc(I)c2)cc1.
What is the InChIKey of (4-butylphenyl)-(3-iodophenyl)methanol?
The InChIKey is AGOSJBJZKYHRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IO/c1-2-3-5-13-8-10-14(11-9-13)17(19)15-6-4-7-16(18)12-15/h4,6-12,17,19H,2-3,5H2,1H3.
What are the key properties of (4-butylphenyl)-(3-iodophenyl)methanol?
(4-butylphenyl)-(3-iodophenyl)methanol has a molecular weight of 366.24 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(3-iodophenyl)methanol is sourced from PubChem (CID 63426658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).