(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol

C16H17IO2 — CID 115823656

IUPAC(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccccc1C(O)c1cccc(I)c1
InChIInChI=1S/C16H17IO2/c1-11(2)19-15-9-4-3-8-14(15)16(18)12-6-5-7-13(17)10-12/h3-11,16,18H,1-2H3
InChIKeyNCLHMFWMUSZCQN-UHFFFAOYSA-N
MW368.21 g/mol
LogP4.16
Rot. Bonds4

About (3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol

(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol (PubChem CID 115823656) has the molecular formula C16H17IO2 and a molecular weight of 368.21 g/mol. Its IUPAC name is (3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol
PubChem CID115823656
Molecular FormulaC16H17IO2
Molecular Weight368.21 g/mol
Exact Mass368.03
IUPAC Name(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccccc1C(O)c1cccc(I)c1
InChIInChI=1S/C16H17IO2/c1-11(2)19-15-9-4-3-8-14(15)16(18)12-6-5-7-13(17)10-12/h3-11,16,18H,1-2H3
InChIKeyNCLHMFWMUSZCQN-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

Analyze (3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol 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

[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol
CID 115527689
(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 107978570
(4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol
CID 115823780
4-[hydroxy-(2-propan-2-yloxyphenyl)methyl]benzonitrile
CID 115480983
[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanol
CID 63895753
(3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829366
(4-iodophenyl)-(2-methoxyphenyl)methanol
CID 114978781
(4-fluorophenyl)-(3-iodophenyl)methanol
CID 61099687
(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol
CID 105057022
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569
(4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018125
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol?
The IUPAC name of (3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol (CID 115823656) is (3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol is CC(C)Oc1ccccc1C(O)c1cccc(I)c1.
What is the InChIKey of (3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol?
The InChIKey is NCLHMFWMUSZCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO2/c1-11(2)19-15-9-4-3-8-14(15)16(18)12-6-5-7-13(17)10-12/h3-11,16,18H,1-2H3.
What are the key properties of (3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol?
(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol has a molecular weight of 368.21 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 115823656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).