(4-iodophenyl)-(2-propoxyphenyl)methanol

C16H17IO2 — CID 115833070

IUPAC(4-iodophenyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1ccc(I)cc1
InChIInChI=1S/C16H17IO2/c1-2-11-19-15-6-4-3-5-14(15)16(18)12-7-9-13(17)10-8-12/h3-10,16,18H,2,11H2,1H3
InChIKeyXQMUMZVKZQVBHM-UHFFFAOYSA-N
MW368.21 g/mol
LogP4.16
Rot. Bonds5

About (4-iodophenyl)-(2-propoxyphenyl)methanol

(4-iodophenyl)-(2-propoxyphenyl)methanol (PubChem CID 115833070) has the molecular formula C16H17IO2 and a molecular weight of 368.21 g/mol. Its IUPAC name is (4-iodophenyl)-(2-propoxyphenyl)methanol.

Molecular Properties

Compound Name(4-iodophenyl)-(2-propoxyphenyl)methanol
PubChem CID115833070
Molecular FormulaC16H17IO2
Molecular Weight368.21 g/mol
Exact Mass368.03
IUPAC Name(4-iodophenyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1ccc(I)cc1
InChIInChI=1S/C16H17IO2/c1-2-11-19-15-6-4-3-5-14(15)16(18)12-7-9-13(17)10-8-12/h3-10,16,18H,2,11H2,1H3
InChIKeyXQMUMZVKZQVBHM-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-iodophenyl)-(2-methoxyphenyl)methanol
CID 114978781
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
1-(2-propoxyphenyl)ethanol
CID 43503976
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023
(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104659620
(4-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792623
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
(2-methoxy-3-pyridinyl)-(2-propoxyphenyl)methanol
CID 105125991
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol
CID 104658962
2-methoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659647

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-(2-propoxyphenyl)methanol?
The IUPAC name of (4-iodophenyl)-(2-propoxyphenyl)methanol (CID 115833070) is (4-iodophenyl)-(2-propoxyphenyl)methanol.
What is the SMILES notation for (4-iodophenyl)-(2-propoxyphenyl)methanol?
The canonical SMILES for (4-iodophenyl)-(2-propoxyphenyl)methanol is CCCOc1ccccc1C(O)c1ccc(I)cc1.
What is the InChIKey of (4-iodophenyl)-(2-propoxyphenyl)methanol?
The InChIKey is XQMUMZVKZQVBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO2/c1-2-11-19-15-6-4-3-5-14(15)16(18)12-7-9-13(17)10-8-12/h3-10,16,18H,2,11H2,1H3.
What are the key properties of (4-iodophenyl)-(2-propoxyphenyl)methanol?
(4-iodophenyl)-(2-propoxyphenyl)methanol has a molecular weight of 368.21 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-(2-propoxyphenyl)methanol is sourced from PubChem (CID 115833070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).