(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol

C17H18O3 — CID 18005860

IUPAC(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol
SMILESOCC1(OCc2ccccc2)CCc2ccccc2O1
InChIInChI=1S/C17H18O3/c18-13-17(19-12-14-6-2-1-3-7-14)11-10-15-8-4-5-9-16(15)20-17/h1-9,18H,10-13H2
InChIKeySFAPPLVFSBNUAX-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.92
Rot. Bonds4

About (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol

(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol (PubChem CID 18005860) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol.

Molecular Properties

Compound Name(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol
PubChem CID18005860
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol
SMILESOCC1(OCc2ccccc2)CCc2ccccc2O1
InChIInChI=1S/C17H18O3/c18-13-17(19-12-14-6-2-1-3-7-14)11-10-15-8-4-5-9-16(15)20-17/h1-9,18H,10-13H2
InChIKeySFAPPLVFSBNUAX-UHFFFAOYSA-N
XLogP2.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol?
The IUPAC name of (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol (CID 18005860) is (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol.
What is the SMILES notation for (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol?
The canonical SMILES for (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol is OCC1(OCc2ccccc2)CCc2ccccc2O1.
What is the InChIKey of (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol?
The InChIKey is SFAPPLVFSBNUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-13-17(19-12-14-6-2-1-3-7-14)11-10-15-8-4-5-9-16(15)20-17/h1-9,18H,10-13H2.
What are the key properties of (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol?
(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol has a molecular weight of 270.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol is sourced from PubChem (CID 18005860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).